@MOLECULE (s)-(-)-blebbistatin 38 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.3650 1.6731 0.3612 C.3 1 UNL1 0.1270 2 C 4.1570 0.3584 -0.3577 C.ar 1 UNL1 -0.2552 3 C 5.2630 -0.4850 -0.3823 C.ar 1 UNL1 -0.0993 4 C 5.1220 -1.8488 -0.1398 C.ar 1 UNL1 -0.1969 5 C 3.8578 -2.3707 0.1283 C.ar 1 UNL1 -0.0988 6 C 2.7405 -1.5446 0.1583 C.ar 1 UNL1 -0.2130 7 C -3.7021 0.0362 -0.2746 C.ar 1 UNL1 -0.0718 8 C -3.4321 -2.3310 0.1232 C.ar 1 UNL1 -0.1111 9 C -2.0543 -2.1811 0.2056 C.ar 1 UNL1 -0.1814 10 C -5.7391 -1.4079 -0.2277 C.3 1 UNL1 -0.4478 11 H -1.0910 1.0670 2.1093 H 1 UNL1 0.3260 12 C 2.8812 -0.1689 -0.0855 C.ar 1 UNL1 0.2211 13 C -4.2638 -1.2304 -0.1183 C.ar 1 UNL1 -0.0185 14 O -2.2332 2.4631 -0.9173 O.2 1 UNL1 -0.3881 15 C 1.9626 2.1760 -0.1197 C.3 1 UNL1 -0.0681 16 C 0.5547 2.8103 -0.0603 C.3 1 UNL1 -0.3016 17 O -0.5853 1.8302 1.7398 O.3 1 UNL1 -0.4963 18 C -1.7297 1.5430 -0.3328 C.2 1 UNL1 0.4233 19 C -1.4858 -0.9073 0.0547 C.ar 1 UNL1 0.2237 20 C -2.3233 0.2073 -0.1736 C.ar 1 UNL1 -0.2751 21 N 1.7714 0.7000 -0.0620 N.pl3 1 UNL1 -0.3764 22 C 0.4486 0.3788 0.1207 C.2 1 UNL1 0.3426 23 N -0.0838 -0.8140 0.0729 N.2 1 UNL1 -0.5221 24 H 2.4818 2.4428 -1.0654 H 1 UNL1 0.1520 25 H 2.5905 2.5065 0.7357 H 1 UNL1 0.1536 26 H 4.3025 1.4152 -0.5557 H 1 UNL1 0.1555 27 H 6.2480 -0.0708 -0.5945 H 1 UNL1 0.1474 28 H 5.9904 -2.5011 -0.1606 H 1 UNL1 0.1515 29 H 3.7390 -3.4377 0.3172 H 1 UNL1 0.1523 30 H 1.7599 -1.9827 0.3678 H 1 UNL1 0.2055 31 H -6.0520 -1.4477 -1.2830 H 1 UNL1 0.1624 32 H -6.0907 -2.3339 0.2464 H 1 UNL1 0.1534 33 H -6.2914 -0.5806 0.2408 H 1 UNL1 0.1585 34 H 0.2467 3.2412 -1.0313 H 1 UNL1 0.1786 35 H 0.5110 3.6419 0.6721 H 1 UNL1 0.1863 36 H -4.3355 0.9033 -0.4769 H 1 UNL1 0.1698 37 H -3.8719 -3.3212 0.2426 H 1 UNL1 0.1523 38 H -1.4018 -3.0375 0.3773 H 1 UNL1 0.1787 @BOND 1 31 10 1 2 24 15 1 3 34 16 1 4 14 18 2 5 27 3 1 6 26 2 1 7 36 7 1 8 3 2 ar 9 3 4 ar 10 2 12 ar 11 18 20 1 12 18 1 1 13 7 20 ar 14 7 13 ar 15 10 13 1 16 10 33 1 17 10 32 1 18 20 19 ar 19 28 4 1 20 4 5 ar 21 15 21 1 22 15 16 1 23 15 25 1 24 13 8 ar 25 12 21 1 26 12 6 ar 27 21 22 1 28 16 1 1 29 16 35 1 30 19 23 1 31 19 9 ar 32 23 22 2 33 22 1 1 34 8 9 ar 35 8 37 1 36 5 6 ar 37 5 29 1 38 6 30 1 39 9 38 1 40 1 17 1 41 17 11 1