@MOLECULE oryzalin 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.8409 -0.2637 -0.0599 S.O2 1 UNL1111111111 2.3835 2 O 4.2574 -1.6025 -0.3901 O.2 1 UNL1111111111 -0.9064 3 O 4.3736 0.9108 -0.7049 O.2 1 UNL1111111111 -0.9147 4 O 0.0984 3.3920 -0.7637 O.2 1 UNL1111111111 -0.3897 5 O -0.0827 -3.4641 0.5377 O.2 1 UNL1111111111 -0.4192 6 O -1.4046 2.2672 -1.8151 O.2 1 UNL1111111111 -0.4124 7 O -1.9866 -2.4904 0.4567 O.2 1 UNL1111111111 -0.3899 8 N -2.1173 0.1489 0.0002 N.pl3 1 UNL1111111111 -0.4125 9 N -0.4493 2.3435 -1.0580 N.pl3 1 UNL1111111111 0.6422 10 N -0.7749 -2.4699 0.3536 N.pl3 1 UNL1111111111 0.6407 11 N 4.1618 -0.0681 1.6337 N.3 1 UNL1111111111 -0.9448 12 C -3.0498 -0.5459 -0.9200 C.3 1 UNL1111111111 -0.0551 13 C -2.6715 1.3638 0.6321 C.3 1 UNL1111111111 -0.1004 14 C -0.7651 0.0089 -0.1951 C.ar 1 UNL1111111111 0.3620 15 C -4.2823 -1.0951 -0.1801 C.3 1 UNL1111111111 -0.2587 16 C -1.8949 1.7327 1.9073 C.3 1 UNL1111111111 -0.2851 17 C 0.0898 1.1124 -0.5137 C.ar 1 UNL1111111111 -0.2635 18 C -0.0917 -1.2370 0.0175 C.ar 1 UNL1111111111 -0.2416 19 C 2.0895 -0.1775 -0.1582 C.ar 1 UNL1111111111 -0.4868 20 C 1.4787 1.0393 -0.4439 C.ar 1 UNL1111111111 0.0890 21 C 1.3074 -1.3112 0.0207 C.ar 1 UNL1111111111 0.0944 22 C -4.9546 -2.1730 -1.0268 C.3 1 UNL1111111111 -0.4352 23 C -2.5624 2.9252 2.5861 C.3 1 UNL1111111111 -0.4323 24 H -2.5186 -1.3696 -1.4470 H 1 UNL1111111111 0.1554 25 H -3.3631 0.1799 -1.7106 H 1 UNL1111111111 0.1469 26 H -2.7406 2.2254 -0.0674 H 1 UNL1111111111 0.1583 27 H -3.7286 1.1290 0.9151 H 1 UNL1111111111 0.1653 28 H -3.9850 -1.5166 0.8035 H 1 UNL1111111111 0.1681 29 H -4.9988 -0.2830 0.0422 H 1 UNL1111111111 0.1335 30 H -1.8642 0.8638 2.5949 H 1 UNL1111111111 0.1548 31 H -0.8389 1.9731 1.6830 H 1 UNL1111111111 0.1453 32 H 2.0805 1.9454 -0.6558 H 1 UNL1111111111 0.2068 33 H 1.7862 -2.2999 0.1847 H 1 UNL1111111111 0.2116 34 H -5.2299 -1.8027 -2.0200 H 1 UNL1111111111 0.1429 35 H -4.2967 -3.0426 -1.1601 H 1 UNL1111111111 0.1559 36 H -5.8704 -2.5374 -0.5457 H 1 UNL1111111111 0.1484 37 H -2.5795 3.8066 1.9324 H 1 UNL1111111111 0.1527 38 H -3.5961 2.7062 2.8774 H 1 UNL1111111111 0.1482 39 H -2.0230 3.2121 3.4976 H 1 UNL1111111111 0.1512 40 H 4.6150 0.7853 1.9157 H 1 UNL1111111111 0.2953 41 H 4.5630 -0.8561 2.1153 H 1 UNL1111111111 0.2959 @BOND 1 1 2 2 2 1 3 2 3 1 11 1 4 1 19 1 5 4 9 2 6 5 10 2 7 6 9 2 8 7 10 2 9 8 12 1 10 8 13 1 11 8 14 1 12 9 17 1 13 10 18 1 14 11 40 1 15 11 41 1 16 12 15 1 17 12 24 1 18 12 25 1 19 13 16 1 20 13 26 1 21 13 27 1 22 14 17 ar 23 14 18 ar 24 15 22 1 25 15 28 1 26 15 29 1 27 16 23 1 28 16 30 1 29 16 31 1 30 17 20 ar 31 18 21 ar 32 19 20 ar 33 19 21 ar 34 20 32 1 35 21 33 1 36 22 34 1 37 22 35 1 38 22 36 1 39 23 37 1 40 23 38 1 41 23 39 1