@MOLECULE nitensidine d 35 34 0 0 0 SMALL GASTEIGER @ATOM 1 N 2.4918 0.1034 0.4436 N.pl3 1 UNL1111111111 -0.5483 2 N 4.0023 -1.6593 -0.3056 N.pl3 1 UNL1111111111 -0.6749 3 N 4.7521 0.5583 0.0832 N.pl3 1 UNL1111111111 -0.6277 4 C -1.5385 1.9925 0.5633 C.3 1 UNL1111111111 -0.2810 5 C -2.8509 1.5238 -0.0967 C.3 1 UNL1111111111 -0.2550 6 C -0.3731 1.1920 0.0572 C.2 1 UNL1111111111 0.0680 7 C -3.3091 0.2341 0.5043 C.2 1 UNL1111111111 -0.2312 8 C 0.1171 0.1717 0.7739 C.2 1 UNL1111111111 -0.2278 9 C 0.1916 1.6099 -1.2594 C.3 1 UNL1111111111 -0.4556 10 C -3.1854 -0.9674 -0.0749 C.2 1 UNL1111111111 0.0579 11 C 1.2717 -0.6854 0.3338 C.3 1 UNL1111111111 -0.0692 12 C -2.5756 -1.1757 -1.4222 C.3 1 UNL1111111111 -0.4581 13 C -3.6539 -2.2100 0.6118 C.3 1 UNL1111111111 -0.4564 14 C 3.6501 -0.3442 0.0837 C.cat 1 UNL1111111111 0.4964 15 H -1.6266 1.9105 1.6654 H 1 UNL1111111111 0.1487 16 H -1.3800 3.0694 0.3618 H 1 UNL1111111111 0.1431 17 H -3.6323 2.2991 0.0411 H 1 UNL1111111111 0.1365 18 H -2.7116 1.4400 -1.1921 H 1 UNL1111111111 0.1434 19 H -3.7529 0.3372 1.4922 H 1 UNL1111111111 0.1434 20 H -0.2967 -0.0919 1.7428 H 1 UNL1111111111 0.1514 21 H 0.2888 0.7636 -1.9518 H 1 UNL1111111111 0.1465 22 H 1.2086 2.0164 -1.1186 H 1 UNL1111111111 0.1751 23 H -0.4073 2.3794 -1.7591 H 1 UNL1111111111 0.1464 24 H 1.1029 -1.0406 -0.7110 H 1 UNL1111111111 0.1204 25 H 1.3323 -1.5976 0.9746 H 1 UNL1111111111 0.1318 26 H -1.5921 -0.6830 -1.4889 H 1 UNL1111111111 0.1644 27 H -3.2086 -0.7510 -2.2135 H 1 UNL1111111111 0.1533 28 H -2.4233 -2.2349 -1.6605 H 1 UNL1111111111 0.1472 29 H -4.1745 -2.0040 1.5549 H 1 UNL1111111111 0.1493 30 H -2.8053 -2.8683 0.8485 H 1 UNL1111111111 0.1565 31 H -4.3463 -2.7800 -0.0225 H 1 UNL1111111111 0.1516 32 H 4.8585 -1.7719 -0.8190 H 1 UNL1111111111 0.2911 33 H 3.2605 -2.2321 -0.6639 H 1 UNL1111111111 0.2878 34 H 5.5697 0.2264 0.5712 H 1 UNL1111111111 0.2794 35 H 4.5020 1.4935 0.3845 H 1 UNL1111111111 0.2957 @BOND 1 1 11 1 2 1 14 2 3 2 14 1 4 2 32 1 5 2 33 1 6 3 14 1 7 3 34 1 8 3 35 1 9 4 5 1 10 4 6 1 11 4 15 1 12 4 16 1 13 5 7 1 14 5 17 1 15 5 18 1 16 6 8 2 17 6 9 1 18 7 10 2 19 7 19 1 20 8 11 1 21 8 20 1 22 9 21 1 23 9 22 1 24 9 23 1 25 10 12 1 26 10 13 1 27 11 24 1 28 11 25 1 29 12 26 1 30 12 27 1 31 12 28 1 32 13 29 1 33 13 30 1 34 13 31 1