@MOLECULE diazoxon 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 P -2.2830 -0.4156 0.3051 P.3 1 UNL111111111 0.3114 2 O -0.9350 -1.1930 0.7696 O.3 1 UNL111111111 -0.2581 3 O -2.1151 -0.0227 -1.2259 O.3 1 UNL111111111 -0.2571 4 O -2.3903 0.9905 1.0067 O.3 1 UNL111111111 -0.1587 5 O -3.3327 -1.3170 0.7528 O.2 1 UNL111111111 -0.1834 6 N 0.7740 0.2495 0.0159 N.ar 1 UNL111111111 -0.5753 7 N 3.0287 -0.5346 0.1550 N.ar 1 UNL111111111 -0.5490 8 C 2.6306 1.7113 -0.7282 C.3 1 UNL111111111 -0.0689 9 C 2.1079 0.4082 -0.1567 C.ar 1 UNL111111111 0.3922 10 C 2.4128 2.8271 0.2978 C.3 1 UNL111111111 -0.4452 11 C 1.9237 2.0222 -2.0497 C.3 1 UNL111111111 -0.4447 12 C 0.3453 -0.9278 0.5334 C.ar 1 UNL111111111 0.5010 13 C 2.5966 -1.7117 0.6755 C.ar 1 UNL111111111 0.3223 14 C 1.2422 -1.9643 0.8873 C.ar 1 UNL111111111 -0.4605 15 C 3.6410 -2.7222 1.0069 C.3 1 UNL111111111 -0.4590 16 C -2.0187 -1.0181 -2.2730 C.3 1 UNL111111111 0.0148 17 C -1.6027 2.1563 0.6306 C.3 1 UNL111111111 -0.0192 18 C -0.5802 -1.0198 -2.7802 C.3 1 UNL111111111 -0.4806 19 C -1.0051 2.6225 1.9548 C.3 1 UNL111111111 -0.4667 20 H 3.7320 1.5982 -0.9178 H 1 UNL111111111 0.1649 21 H 1.3458 2.9517 0.5274 H 1 UNL111111111 0.1615 22 H 2.7902 3.7847 -0.0749 H 1 UNL111111111 0.1465 23 H 2.9309 2.6077 1.2389 H 1 UNL111111111 0.1494 24 H 2.1098 1.2400 -2.7940 H 1 UNL111111111 0.1447 25 H 2.2695 2.9725 -2.4687 H 1 UNL111111111 0.1459 26 H 0.8351 2.0918 -1.9107 H 1 UNL111111111 0.1650 27 H 0.8756 -2.8937 1.3016 H 1 UNL111111111 0.1987 28 H 3.4804 -3.6598 0.4552 H 1 UNL111111111 0.1680 29 H 4.6540 -2.3630 0.7560 H 1 UNL111111111 0.1810 30 H 3.6372 -2.9605 2.0810 H 1 UNL111111111 0.1701 31 H -2.3702 -2.0384 -2.0291 H 1 UNL111111111 0.1341 32 H -2.7155 -0.5725 -3.0192 H 1 UNL111111111 0.1299 33 H -0.8204 2.0146 -0.1429 H 1 UNL111111111 0.1630 34 H -2.3707 2.8580 0.2429 H 1 UNL111111111 0.1251 35 H -0.5280 -1.3381 -3.8256 H 1 UNL111111111 0.1470 36 H -0.1394 -0.0128 -2.7121 H 1 UNL111111111 0.1691 37 H 0.0662 -1.6838 -2.1944 H 1 UNL111111111 0.1534 38 H -0.6387 3.6507 1.8798 H 1 UNL111111111 0.1452 39 H -1.7486 2.5835 2.7628 H 1 UNL111111111 0.1601 40 H -0.1665 1.9819 2.2606 H 1 UNL111111111 0.1619 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 2 5 2 12 1 6 3 16 1 7 4 17 1 8 6 9 ar 9 6 12 ar 10 7 9 ar 11 7 13 ar 12 8 9 1 13 8 10 1 14 8 11 1 15 8 20 1 16 10 21 1 17 10 22 1 18 10 23 1 19 11 24 1 20 11 25 1 21 11 26 1 22 12 14 ar 23 13 14 ar 24 13 15 1 25 14 27 1 26 15 28 1 27 15 29 1 28 15 30 1 29 16 18 1 30 16 31 1 31 16 32 1 32 17 19 1 33 17 33 1 34 17 34 1 35 18 35 1 36 18 36 1 37 18 37 1 38 19 38 1 39 19 39 1 40 19 40 1