Spaces:
Running
on
L4
Running
on
L4
| OpenBabel09192409083D | |
| 36 40 0 0 0 0 0 0 0 0999 V2000 | |
| 108.2560 -14.3390 -8.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 108.0640 -15.5020 -7.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 106.8180 -15.9740 -7.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 106.2330 -14.9610 -8.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 107.0800 -13.9290 -8.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 106.3370 -17.3000 -7.4520 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 106.9630 -17.6470 -6.0950 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 108.4110 -17.3630 -6.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 108.9200 -16.1410 -6.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 109.9720 -15.6370 -6.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 111.7640 -12.1520 -9.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 111.5380 -12.5620 -7.9090 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 110.3870 -13.2820 -7.5640 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 109.4320 -13.5860 -8.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 109.6780 -13.1990 -9.8650 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 110.8310 -12.4790 -10.2040 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 114.0540 -11.8750 -8.6550 C 0 0 0 0 0 1 0 0 0 0 0 0 | |
| 112.9260 -11.4570 -9.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 109.2010 -18.1590 -5.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 110.5900 -18.2460 -5.2280 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 111.3670 -19.0330 -4.3580 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 110.7870 -19.7750 -3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 109.3970 -19.6900 -3.1960 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 108.6200 -18.9030 -4.0650 C 0 0 0 0 0 3 0 0 0 0 0 0 | |
| 111.5850 -20.5710 -2.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 112.5740 -21.5070 -2.9690 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 113.9390 -21.2760 -2.3370 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 113.8510 -21.1820 -0.8130 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 112.4390 -21.4180 -0.2930 C 0 0 0 0 0 2 0 0 0 0 0 0 | |
| 111.4390 -20.5420 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 110.6190 -19.8910 -0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 104.8990 -14.9150 -9.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 104.3150 -15.8830 -9.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 104.3240 -13.6710 -9.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 104.9260 -12.8600 -9.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 103.5080 -13.6300 -9.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
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| 36 34 1 0 0 0 0 | |
| M END | |
| > <minimizedAffinity> | |
| 41.9578323 | |
| $$$$ | |