@MOLECULE fast violet b 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7829 1.6678 0.2404 O.3 1 UNL1111111111 -0.3301 2 O 0.9046 1.5632 -0.6046 O.2 1 UNL1111111111 -0.4970 3 N 0.5713 -0.5514 0.1945 N.am 1 UNL1111111111 -0.5604 4 N -5.0510 -0.6763 -0.0103 N.pl3 1 UNL1111111111 -0.5962 5 C -0.8438 -0.5658 0.0890 C.ar 1 UNL1111111111 0.1562 6 C -1.5046 -1.7864 -0.1243 C.ar 1 UNL1111111111 -0.0344 7 C -1.5761 0.6240 0.2265 C.ar 1 UNL1111111111 -0.2547 8 C -2.9001 -1.8094 -0.1817 C.ar 1 UNL1111111111 -0.2339 9 C -3.6492 -0.6386 -0.0485 C.ar 1 UNL1111111111 0.1314 10 C -2.9558 0.5861 0.1420 C.ar 1 UNL1111111111 0.1433 11 C -0.7488 -3.0623 -0.2936 C.3 1 UNL1111111111 -0.4375 12 C 1.3639 0.5249 -0.1841 C.2 1 UNL1111111111 0.5822 13 C 2.8287 0.2894 -0.0352 C.ar 1 UNL1111111111 -0.1350 14 C 3.6463 0.5035 -1.1440 C.ar 1 UNL1111111111 -0.0976 15 C 3.3723 -0.0947 1.1894 C.ar 1 UNL1111111111 -0.1256 16 C 5.0214 0.3111 -1.0279 C.ar 1 UNL1111111111 -0.1570 17 C 4.7486 -0.2808 1.3004 C.ar 1 UNL1111111111 -0.1557 18 C 5.5709 -0.0822 0.1917 C.ar 1 UNL1111111111 -0.1233 19 C -3.1632 2.9454 0.1733 C.3 1 UNL1111111111 -0.1939 20 H -1.0515 1.5666 0.3908 H 1 UNL1111111111 0.1999 21 H -3.4144 -2.7567 -0.3291 H 1 UNL1111111111 0.1628 22 H 1.0129 -1.4208 0.4702 H 1 UNL1111111111 0.3153 23 H -0.2673 -3.3743 0.6441 H 1 UNL1111111111 0.1512 24 H -1.4006 -3.8930 -0.6003 H 1 UNL1111111111 0.1567 25 H 0.0263 -2.9756 -1.0694 H 1 UNL1111111111 0.1564 26 H -5.5152 0.2082 -0.1131 H 1 UNL1111111111 0.2900 27 H -5.4922 -1.4200 -0.5143 H 1 UNL1111111111 0.2774 28 H 3.2093 0.8286 -2.0898 H 1 UNL1111111111 0.1679 29 H 2.7299 -0.2350 2.0584 H 1 UNL1111111111 0.1590 30 H 5.6669 0.4732 -1.8894 H 1 UNL1111111111 0.1546 31 H 5.1821 -0.5775 2.2535 H 1 UNL1111111111 0.1531 32 H 6.6460 -0.2306 0.2800 H 1 UNL1111111111 0.1494 33 H -2.5553 3.0472 -0.7324 H 1 UNL1111111111 0.1423 34 H -2.5656 3.1277 1.0726 H 1 UNL1111111111 0.1362 35 H -4.0274 3.6210 0.1396 H 1 UNL1111111111 0.1467 @BOND 1 1 10 1 2 1 19 1 3 2 12 2 4 3 5 1 5 3 12 am 6 3 22 1 7 4 9 1 8 4 26 1 9 4 27 1 10 5 6 ar 11 5 7 ar 12 6 8 ar 13 6 11 1 14 7 10 ar 15 7 20 1 16 8 9 ar 17 8 21 1 18 9 10 ar 19 11 23 1 20 11 24 1 21 11 25 1 22 12 13 1 23 13 14 ar 24 13 15 ar 25 14 16 ar 26 14 28 1 27 15 17 ar 28 15 29 1 29 16 18 ar 30 16 30 1 31 17 18 ar 32 17 31 1 33 18 32 1 34 19 33 1 35 19 34 1 36 19 35 1