[Nmrshiftdb-devel] CVS: nmrshiftdb/src/html/chemaxon/marvin/templates aminoacids.t,NONE,1.1 extrabon
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[Nmrshiftdb-devel] CVS: nmrshiftdb/src/html/chemaxon/marvin/templates aminoacids.t,NONE,1.1 extrabonds.t,NONE,1.1 generic.t,NONE,1.1 polycyclics.t,NONE,1.1 rings.t,NONE,1.1 wedgebonds.t,NONE,1.1
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From: Stefan K. <sh...@us...> - 2002-02-26 17:14:44
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Update of /cvsroot/nmrshiftdb/nmrshiftdb/src/html/chemaxon/marvin/templates In directory usw-pr-cvs1:/tmp/cvs-serv17161 Added Files: aminoacids.t extrabonds.t generic.t polycyclics.t rings.t wedgebonds.t Log Message: --- NEW FILE: aminoacids.t --- L-Alanyl Marvin 06249912302D 5 4 0 0 0 0 0 0 0 0999 V2000 m1sV6p5W60 49uV+a4W60 PGwV6p5W60 49uVk82W70 PGwVMF8W80 40201 20109 20301 30502 M END > <title> Ala > <rotation.unit> 30 $$$$ L-Arginyl Marvin 06259911032D 11 10 0 0 0 0 0 0 0 0999 V2000 iyyVbo6W60 OrwVSa5W60 3kuVbo6W60 lcsVSa5W60 RVqVbo6W60 OrwVC83W70 iyyVrE9W80 7OoVSa5W70 oGmVbo6W60 oGmVrE9W70 U9kVSa5W70 70102 10201 20601 20309 30401 40501 50801 80901 90B01 90A02 M END > <title> Arg > <rotation.unit> 30 $$$$ L-Asparaginyl Marvin 06249914002D 8 7 0 0 0 0 0 0 0 0999 V2000 yO-Vys7W60 eHzVpe6W60 JAxVys7W60 yO-VCJAW80 eHzVZC4W70 -2vVpe6W60 hxsVys7W80 -2vVZC4W70 40102 10201 20501 20309 30601 60801 60702 M END > <title> Asn > <rotation.unit> 30 $$$$ L-Aspartyl Marvin 06259911062D 8 7 0 0 0 0 0 0 0 0999 V2000 un+VPG6W60 agyVH25W60 FZwVPG6W60 xRuVH25W60 dKsVPG6W80 xRuV1c2W80 un+Vfi8W80 agyV1c2W70 70102 10201 20801 20309 30401 40601 40502 M END > <title> Asp > <rotation.unit> 30 > <endrow> $$$$ L-Cysteinyl Marvin 06259911082D 6 5 0 0 0 0 0 0 0 0999 V2000 fx+Vs32W60 LqyVjr0W60 0jwVs32W60 ibuVjr0WG0 LqyVTP+V70 fx+V6W4W80 60102 10201 20501 20309 30401 M END > <title> Cys > <rotation.unit> 30 $$$$ L-Glutaminyl Marvin 06269908302D 9 8 0 0 0 0 0 0 0 0999 V2000 Ui-VdD2W60 AbzVU-0W60 rTxVdD2W60 XMvVU-0W60 Ui-Vtf4W80 v7rVU-0W70 AbzVEZ+V70 DFtVtf4W80 DFtVdD2W60 50102 10201 20701 20309 30401 40901 90601 90802 M END > <title> Gln > <rotation.unit> 30 $$$$ L-Glutamyl Marvin 06269908042D 9 8 0 0 0 0 0 0 0 0999 V2000 zw2WoDBW60 ep0WwRCW60 Ki+VoDBW60 0byVwRCW60 H25WwRCW60 iTwVoDBW80 0byVAuEW80 H25WAuEW80 zw2WYn8W70 50101 10901 10209 20301 30401 40702 40601 50802 M END > <title> Glu > <rotation.unit> 30 $$$$ Glycyl Marvin 06249912172D 4 3 0 0 0 0 0 0 0 0999 V2000 hfxVuY8W60 0nzV0n9W60 0nzVGDCW80 hfxVe66W70 40101 10201 20302 M END > <title> Gly > <rotation.unit> 30 > <endrow> $$$$ L-Histidyl Marvin 06259911162D 10 10 0 0 0 0 0 0 0 0999 V2000 v40WWu4W60 azzVOg3W60 GsxVWu4W60 ykvVOg3W60 OyrV8Z2W60 VgvVDE1W60 nRtVtU4W70 bKtVAY0W70 azzV8E1W70 v40WmK7W80 A0102 10201 20901 20309 30401 70502 50801 80601 60402 70401 M END > <title> His > <rotation.unit> 30 $$$$ L-Isoleucyl Marvin 06249912442D 8 7 0 0 0 0 0 0 0 0999 V2000 2cyVH25W60 kUwVPG6W60 gq0WH25W60 -x2WPG6W60 -x2Wfi8W80 gq0W1c2W70 Mj+VPG6W60 Mj+Vfi8W60 10701 30709 10201 30601 30401 40502 7080n M END > <title> Ile > <rotation.unit> 30 $$$$ L-Leucyl Marvin 06249912392D 8 7 0 0 0 0 0 0 0 0999 V2000 NewVn55W60 3XuVPR1W60 3XuVft3W60 lPsVn55W60 hlyVft3W60 0t+Vn55W60 0t+V1Y7W80 hlyVPR1W70 30101 50109 30201 30401 50801 50601 60702 M END > <title> Leu > <rotation.unit> 30 $$$$ L-Lysyl Marvin 06269910122D 9 8 0 0 0 0 0 0 0 0999 V2000 wg2W+a4W60 bZ0WsM3W60 HS+V+a4W60 zKyVsM3W60 eDwV+a4W60 K6uVsM3W60 0-rV+a4W70 bZ0Wcw0W70 wg2WE17W80 90102 10201 20801 20309 30401 40501 50601 60701 M END > <title> Lys > <rotation.unit> 30 > <endrow> $$$$ L-Methionyl Marvin 06249913422D 8 7 0 0 0 0 0 0 0 0999 V2000 sbvV7P8W60 YUtVlk4W70 sbvVNrAW80 YUtV-A7W60 DNrV7P8W60 vFpV-A7W60 H1lV-A7W60 b8nV7P8WG0 30102 10401 40201 40509 50601 60801 80701 M END > <title> Met > <rotation.unit> 30 $$$$ L-Phenylalanyl Marvin 06249912472D 11 11 0 0 0 0 0 0 0 0999 V2000 PVyVIL6W60 5OwVA75W60 5OwVwg2W60 PVyVoS1W60 jc+Vwg2W60 jc+VA75W60 1k0WIL6W60 Mr2WA75W60 Mr2Wwg2W70 gy4WIL6W60 gy4WYn8W80 10201 20302 30401 40502 50601 10602 60701 80709 80901 80A01 A0B02 M END > <title> Phe > <rotation.unit> 30 $$$$ L-Prolyl Marvin 06249912532D 7 7 0 0 0 0 0 0 0 0999 V2000 hW+Vot4W60 O5zV+u2W60 nX+V+w0W60 As0Wvh1W70 Ur0W984W60 py2WHM5W60 py2WXo7W80 10201 20301 30401 40501 50109 50601 60702 M END > <title> Pro > <rotation.unit> 30 $$$$ L-Seryl Marvin 06269910202D 6 5 0 0 0 0 0 0 0 0999 V2000 nD-VwvuV60 nD-VAMxV80 T6zVXFrV70 T6zVnhtV60 9-wVwvuV60 rtuVohtV80 20102 10401 40301 40509 50601 M END > <title> Ser > <rotation.unit> 30 > <endrow> $$$$ L-Threonyl Marvin 06249913372D 7 6 0 0 0 0 0 0 0 0999 V2000 hMwVXB6W60 NFuV8X2W70 hMwVnd8W80 NFuVOz4W60 k0qVOz4W60 28sVXB6W60 28sVnd8W80 30102 10401 40201 40609 60501 60709 M END > <title> Thr > <rotation.unit> 30 $$$$ L-Tryptophanyl Marvin 06249913482D 14 15 0 0 0 0 0 0 0 0999 V2000 4d0WIL6W60 4d0WYn8W80 mV+Vvg2W70 mV+V975W60 ROyVIL6W60 7HwV975W60 WEwVxg2W60 MztVxv5W60 QVsV4z3W60 C0tVj98W60 6bqVfS8W60 A7pVoV6W60 K4qV0G4W60 7vtV9z1W70 20102 10401 40301 40509 50601 80902 90E01 E0701 70602 80601 80A01 A0B02 B0C01 C0D02 D0901 M END > <title> Try > <rotation.unit> 30 $$$$ L-Tyrosyl Marvin 06249913532D 12 12 0 0 0 0 0 0 0 0999 V2000 SWwVXU7W60 8PuV9q3W70 SWwVnw9W80 8PuVPG6W60 pHsVXU7W60 VAqVPG6W60 B3oVXU7W60 txlVPG6W60 B3oV1c2W60 VAqV9q3W60 txlV9q3W60 ZqjV1c2W80 30102 10401 40201 40509 50601 70801 80B02 B0901 90A02 A0601 70602 B0C01 M END > <title> Tyr > <rotation.unit> 30 $$$$ L-Valyl Marvin 06269910272D 7 6 0 0 0 0 0 0 0 0999 V2000 Zc1W+a4W60 EV-VsM3W60 wNzVE17W60 wNzV+a4W60 cGxVsM3W60 Zc1WE17W80 EV-Vcw0W70 60102 10201 20701 20409 40301 40501 M END > <title> Val > <rotation.unit> 30 > <endrow> $$$$ --- NEW FILE: extrabonds.t --- Aromatic Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 10204 M END > <title> Arom. $$$$ Single Up Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 10209 M END > <title> Up $$$$ Single Down Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 1020n M END > <title> Down $$$$ Single Up or Down Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 1020X M END > <title> Either $$$$ Double Cis or Trans Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 1020Q M END > <title> C or T $$$$ Double Cis/Trans or Unspec Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 10202 M MRV CTU 1 1 M END > <title> C/T or U $$$$ Single or Double Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 10205 M END > <title> 1 or 2 $$$$ Single or Aromatic Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 10206 M END > <title> 1 or a. $$$$ Double or Aromatic Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 10207 M END > <title> 2 or a. $$$$ Any Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 10200 M END > <title> Any $$$$ --- NEW FILE: generic.t --- Cyclopentane (house) class M*03239812482D 5 5 0 0 0 0 0 0 0 0999 V2000 000Wun+V60 iuzV000W60 iuzVGS2W60 K72WGS2W60 K72W000W60 10201 20301 40501 10501 30401 M END > <rotation.unit> 90 $$$$ Pyrrole class M*03239812482D 5 5 0 0 0 0 0 0 0 0999 V2000 000Wun+V70 iuzV000W60 iuzVGS2W60 K72WGS2W60 K72W000W60 10201 20302 40502 10501 30401 M END > <rotation.unit> 90 $$$$ Cyclopentane class M*03239812502D 5 5 0 0 0 0 0 0 0 0999 V2000 Z4kV-H5W60 96iV9s3W60 RsiVZX1W60 hIlVZX1W60 z2mV9s3W60 10201 20301 30401 40501 10501 M END > <rotation.unit> 180 $$$$ Cyclohexane class M*03239812442D 6 6 0 0 0 0 0 0 0 0999 V2000 000WGS2W60 iuzV8E1W60 iuzVun+V60 000WmZzV60 K72Wun+V60 K72W8E1W60 10201 20301 30401 40501 50601 10601 M END > <rotation.unit> 90 $$$$ Benzene class M*03239812442D 6 6 0 0 0 0 0 0 0 0999 V2000 000WGS2W60 iuzV8E1W60 iuzVun+V60 000WmZzV60 K72Wun+V60 K72W8E1W60 10201 20302 30401 40502 50601 10602 M END > <rotation.unit> 30 $$$$ Naphthalene class M*03239812522D 10 11 0 0 0 0 0 0 0 0999 V2000 000W8E1W60 iuzVGS2W60 NnxV8E1W60 NnxVun+V60 iuzVmZzV60 000Wun+V60 K72WmZzV60 fE4Wun+V60 fE4W8E1W60 K72WGS2W60 10201 20302 30401 40502 50601 70802 80901 90A02 10602 10A01 60701 M END $$$$ --- NEW FILE: polycyclics.t --- Marvin 06289910072D 9 10 0 0 0 0 0 0 0 0999 V2000 SpxV2v3W60 8ivVwg2W60 8ivVgE0W60 SpxVX0-V60 mwzVwg2W60 NF0WCR3W60 mwzVgE0W60 NF0WOU-V60 Dh1WoS1W60 10201 20301 30401 40701 70501 10501 60501 70801 80901 60901 M END > <rotation.unit> 30 $$$$ Marvin 06289910152D 13 15 0 0 0 0 0 0 0 0999 V2000 N41WsA0W60 Fs-VQQyV60 z5-V0l+V60 7jyVVF-V60 a4xVORzV60 sqxVo6xV60 iD+VJcwV60 n23W0l+V60 VI2WQQyV60 A47WORzV60 cR5WVF-V60 2x3WIcwV60 uJ6Wo6xV60 10301 30201 20901 90801 10801 30401 40501 50601 60701 70201 A0B01 B0801 90C01 C0D01 D0A01 M END > <rotation.unit> 30 $$$$ Marvin 06289910202D 12 14 0 0 0 0 0 0 0 0999 V2000 HWzVjY-V60 HWzVT6zV60 bd-VLuxV60 wk1WT6zV60 Es3WLuxV60 Xz5WT6zV60 Xz5WjY-V60 wk1WjY-V60 Es3Wrm0W60 2z2W9J3W60 oW0W9J3W60 bd-Vrm0W60 C0101 10201 20301 30401 40801 C0801 90801 40501 50601 60701 90701 90A01 A0B01 B0C01 M END > <rotation.unit> 30 > <endrow> $$$$ Marvin 06289910022D 10 11 0 0 0 0 0 0 0 0999 V2000 a1zVh74W60 GwwVZv2W60 GwwVJT0W60 a1zVBF-V60 u8-VZv2W60 u8-VJT0W60 DG1Wh74W60 DG1WBF-V60 XN3WJT0W60 XN3WZv2W60 10201 20301 30401 40601 60501 10501 70501 60801 80901 90A01 70A01 M END > <rotation.unit> 30 $$$$ Marvin 06289910182D 14 16 0 0 0 0 0 0 0 0999 V2000 xoyVGS2W60 dhwV8E1W60 dhwVun+V60 xoyVmZzV60 Fw+V8E1W60 Fw+Vun+V60 Z11WGS2W60 Z11WmZzV60 t83W8E1W60 t83Wun+V60 BG5WGS2W60 BG5WmZzV60 VN7Wun+V60 VN7W8E1W60 10201 20301 30401 40601 60501 10501 70501 60801 80A01 A0901 70901 B0901 A0C01 C0D01 D0E01 B0E01 M END > <rotation.unit> 30 $$$$ Marvin 06289910212D 13 15 0 0 0 0 0 0 0 0999 V2000 sqxVFs-V60 sqxV-PzV60 AyzVtByV60 U30W-PzV60 pA2WtByV60 7I4W-PzV60 7I4WFs-V60 pA2WN41W60 U30WFs-V60 AyzVN41W60 U30Wlk4W60 AyzVdW3W60 pA2WdW3W60 A0101 10201 20301 30401 40901 A0901 80901 40501 50601 60701 80701 B0C01 C0A01 80D01 B0D01 M END > <rotation.unit> 30 > <endrow> $$$$ Marvin 06289910322D 14 16 0 0 0 0 0 0 0 0999 V2000 zWvVbd-V60 fPtVTP+V60 fPtVDzxV60 zWvV5lwV60 IexVTP+V60 IexVDzxV60 clzV5lwV60 ws-VDzxV60 ws-VTP+V60 clzVbd-V60 ws-V+H3W60 clzVs32W60 E+1Wbd-V60 E+1Ws32W60 10201 20301 30401 40601 60501 10501 A0501 60701 70801 80901 A0901 B0C01 C0A01 90D01 D0E01 B0E01 M END > <rotation.unit> 30 $$$$ Marvin 06289910332D 17 20 0 0 0 0 0 0 0 0999 V2000 93wV8E1W60 rxtV000W60 rxtVmZzV60 93wVeLyV60 TAyV000W60 TAyVmZzV60 nH+VeLyV60 5P0WmZzV60 5P0W000W60 nH+V8E1W60 5P0WWu4W60 nH+VOg3W60 PW2WOg3W60 PW2W8E1W60 -q4WgQ4W60 0r4WsT0W60 rG6WGS2W60 10201 20301 30401 40601 60501 10501 A0501 60701 70801 80901 A0901 B0C01 C0A01 90E01 E0D01 B0D01 F0D01 E0G01 G0H01 F0H01 M END > <rotation.unit> 30 $$$$ Marvin 06289910312D 21 25 0 0 0 0 0 0 0 0999 V2000 OCxVrm0W60 45vVjY-V60 45vVT6zV60 OCxVLuxV60 jJzVjY-V60 jJzVT6zV60 1R-VLuxV60 LY1WT6zV60 1R-Vrm0W60 LY1WjY-V60 LY1WDR4W60 1R-V5D3W60 ff3W5D3W60 ff3Wrm0W60 zm5WjY-V60 Hu7Wrm0W60 Hu7W5D3W60 SH6W2q6W60 zm5WDR4W60 Oi9Wer4W60 ri8WN47W60 10201 20301 30401 40601 60501 10501 90501 60701 70801 80A01 90A01 B0C01 C0901 A0E01 E0D01 B0D01 J0D01 E0F01 F0G01 G0H01 J0H01 I0J01 H0K01 K0L01 I0L01 M END > <rotation.unit> 30 > <endrow> $$$$ --- NEW FILE: rings.t --- Cyclopropane MSketch 06229919572D 3 3 0 0 0 0 0 0 0 0999 V2000 000WEQ1W60 un+VvI-V60 8E1WvI-V60 10201 20301 30101 M END > <rotation.unit> 30 $$$$ Cyclobutane MSketch 06229919572D 4 4 0 0 0 0 0 0 0 0999 V2000 8E1W8E1W60 un+V8E1W60 un+Vun+V60 8E1Wun+V60 10201 20301 30401 40101 M END > <rotation.unit> 45 $$$$ Cyclopentane class M*03239812502D 5 5 0 0 0 0 0 0 0 0999 V2000 Z4kV-H5W60 96iV9s3W60 RsiVZX1W60 hIlVZX1W60 z2mV9s3W60 10201 20301 30401 40501 10501 M END > <rotation.unit> 180 $$$$ Cyclohexane MSketch 06239901462D 6 6 0 0 0 0 0 0 0 0999 V2000 GS2W000W60 8E1WK72W60 un+VK72W60 mZzV000W60 un+ViuzV60 8E1WiuzV60 10201 20301 30401 40501 50601 60101 M END > <rotation.unit> 90 $$$$ Cycloheptane MSketch 06229919582D 7 7 0 0 0 0 0 0 0 0999 V2000 000W4q2W60 EpzVHm1W60 TGzVyN-V60 un+VnTzV60 8E1WnTzV60 Zl2WyN-V60 oC2WHm1W60 10201 20301 30401 40501 50601 60701 70101 M END > <rotation.unit> 180 $$$$ Cyclooctane MSketch 06229919582D 8 8 0 0 0 0 0 0 0 0999 V2000 dy2W8E1W60 8E1Wdy2W60 un+Vdy2W60 P3zV8E1W60 P3zVun+V60 un+VP3zV60 8E1WP3zV60 dy2Wun+V60 10201 20301 30401 40501 50601 60701 70801 80101 M END $$$$ Cyclononane MSketch 06239901502D 9 9 0 0 0 0 0 0 0 0999 V2000 zW3Whd0W60 rI2W-k2W60 000WRa3W60 BjzV-k2W60 3VyVhd0W60 CwyVoD+V60 un+VNfyV60 8E1WNfyV60 q53WoD+V60 10201 20301 30401 40501 50601 60701 70801 80901 90101 M END $$$$ --- NEW FILE: wedgebonds.t --- Single Up Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 10209 M END > <title> Up $$$$ Single Down Marvin 12220112322D 2 1 0 0 0 0 0 0 0 0999 V2000 vavVqL5W60 pbxVqL5W60 1020n M END > <title> Down $$$$ |
