bend:sdf_example
Amb22830887 -MTS- 10041818263D 0 0.00000 0.00000 0 57 59 0 0 0 0 0 0 0 0999 V2000 -15.2310 6.4970 -10.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7520 7.8940 -9.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6470 8.0760 -9.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8960 6.9060 -8.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7970 7.0880 -7.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0470 5.9180 -7.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7880 4.6760 -7.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7100 5.9610 -7.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9590 4.7910 -6.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2150 4.9030 -5.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4640 3.7340 -5.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5350 3.8960 -4.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2530 5.2730 -3.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 2.7270 -3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 2.4470 -2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0360 1.2770 -2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 0.9910 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8270 1.8620 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 -0.1780 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -0.8530 -0.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -0.4830 1.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -1.5950 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -2.6590 1.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -3.8230 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 -4.9710 2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 -5.2340 1.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -3.5530 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -4.7090 3.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -2.3450 3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -1.9540 4.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -1.1470 2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -0.1740 2.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5020 9.0640 -10.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1090 10.1700 -10.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.6310 8.8820 -11.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.2820 10.0380 -11.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4820 10.3020 -11.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.1040 11.5120 -11.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3190 11.8210 -10.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.9090 11.9250 -9.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.9960 12.2730 -8.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7970 13.5850 -7.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.9170 14.0050 -7.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.7200 15.4500 -6.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.5510 16.2930 -7.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.1340 13.0920 -5.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.3340 13.4830 -5.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.2520 11.6190 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.1750 10.7830 -5.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.1390 11.2210 -7.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.4590 9.9560 -7.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.5290 11.4300 -12.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0280 12.7040 -13.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.3350 11.0380 -13.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8140 10.7040 -15.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.5610 9.8380 -13.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3180 9.7030 -13.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 22 1 0 0 0 0 31 32 1 0 0 0 0 2 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 43 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 41 1 0 0 0 0 50 51 1 0 0 0 0 38 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 36 1 0 0 0 0 56 57 1 0 0 0 0 M END > <Ambinter_reference> (Amb22830887) Amb22830887 > <Vendor> www.ambinter.com $$$$ Amb22830820 -MTS- 10041818263D 0 0.00000 0.00000 0 **... HERE GOES THE DATA OF THE NEXT MOLECULE ...**
bend/sdf_example.txt · Last modified: 2020/03/24 17:39 by fsilesc
