@MOLECULE metazosin 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.1587 -0.7510 0.8271 O.3 1 UNL1111111111 -0.3308 2 O -5.5311 -1.7255 -1.0008 O.2 1 UNL1111111111 -0.4931 3 O 5.6468 -2.1967 -0.0388 O.3 1 UNL1111111111 -0.3425 4 O 6.6005 0.3864 0.3368 O.3 1 UNL1111111111 -0.3240 5 N -3.8694 -0.3244 -0.4419 N.am 1 UNL1111111111 -0.5309 6 N -1.0209 0.1901 -0.2564 N.pl3 1 UNL1111111111 -0.4058 7 N 1.1762 -0.6037 -0.1439 N.ar 1 UNL1111111111 -0.5938 8 N 0.6781 1.7778 -0.0006 N.ar 1 UNL1111111111 -0.6541 9 N 2.3041 3.3728 0.2647 N.pl3 1 UNL1111111111 -0.5907 10 C -3.3336 0.7950 0.3323 C.3 1 UNL1111111111 -0.0821 11 C -2.8856 -1.1690 -1.1364 C.3 1 UNL1111111111 -0.0773 12 C -1.9960 1.2777 -0.2684 C.3 1 UNL1111111111 -0.0694 13 C -1.5292 -1.1808 -0.4010 C.3 1 UNL1111111111 -0.0721 14 C -5.1917 -0.7363 -0.3900 C.2 1 UNL1111111111 0.5503 15 C 0.3116 0.4463 -0.1371 C.ar 1 UNL1111111111 0.5661 16 C -6.1735 0.1616 0.3742 C.3 1 UNL1111111111 0.0319 17 C 2.5033 -0.3179 -0.0338 C.ar 1 UNL1111111111 0.3164 18 C -6.7384 1.1777 -0.6146 C.3 1 UNL1111111111 -0.4875 19 C 2.9979 1.0140 0.0904 C.ar 1 UNL1111111111 -0.3222 20 C 1.9927 2.0481 0.1159 C.ar 1 UNL1111111111 0.4936 21 C 3.4159 -1.4135 -0.0304 C.ar 1 UNL1111111111 -0.2731 22 C 4.3893 1.2414 0.1742 C.ar 1 UNL1111111111 -0.1078 23 C 4.7584 -1.1558 0.0586 C.ar 1 UNL1111111111 0.2308 24 C 5.2553 0.1764 0.1564 C.ar 1 UNL1111111111 0.0623 25 C -8.1554 -0.1374 1.6247 C.3 1 UNL1111111111 -0.2103 26 C 6.0211 -2.6870 1.2500 C.3 1 UNL1111111111 -0.1881 27 C 7.2817 0.5785 -0.9022 C.3 1 UNL1111111111 -0.1956 28 H -3.1865 0.4924 1.3950 H 1 UNL1111111111 0.1460 29 H -4.0460 1.6513 0.3203 H 1 UNL1111111111 0.1409 30 H -2.7607 -0.7932 -2.1784 H 1 UNL1111111111 0.1502 31 H -3.2747 -2.2135 -1.2221 H 1 UNL1111111111 0.1754 32 H -2.1412 1.6343 -1.3144 H 1 UNL1111111111 0.1529 33 H -1.6147 2.1514 0.3167 H 1 UNL1111111111 0.1755 34 H -1.6290 -1.6409 0.6099 H 1 UNL1111111111 0.1544 35 H -0.7914 -1.8056 -0.9661 H 1 UNL1111111111 0.1810 36 H -5.7089 0.6417 1.2619 H 1 UNL1111111111 0.1282 37 H -7.3174 1.9579 -0.1143 H 1 UNL1111111111 0.1517 38 H -7.4067 0.6754 -1.3322 H 1 UNL1111111111 0.1790 39 H -5.9516 1.6663 -1.1997 H 1 UNL1111111111 0.1571 40 H 3.0281 -2.4273 -0.1041 H 1 UNL1111111111 0.1987 41 H 4.7873 2.2519 0.2595 H 1 UNL1111111111 0.1567 42 H 1.5714 4.0549 0.3020 H 1 UNL1111111111 0.3205 43 H 3.2426 3.6786 0.3488 H 1 UNL1111111111 0.3118 44 H -8.8406 0.4386 0.9972 H 1 UNL1111111111 0.1260 45 H -7.7277 0.4859 2.4144 H 1 UNL1111111111 0.1181 46 H -8.6745 -1.0010 2.0627 H 1 UNL1111111111 0.1514 47 H 5.1428 -3.0790 1.7685 H 1 UNL1111111111 0.1319 48 H 6.5169 -1.8998 1.8301 H 1 UNL1111111111 0.1400 49 H 6.7251 -3.4910 1.0087 H 1 UNL1111111111 0.1459 50 H 7.1997 -0.3169 -1.5265 H 1 UNL1111111111 0.1394 51 H 8.3169 0.7391 -0.5815 H 1 UNL1111111111 0.1417 52 H 6.8963 1.4581 -1.4268 H 1 UNL1111111111 0.1249 @BOND 1 1 16 1 2 1 25 1 3 2 14 2 4 3 23 1 5 3 26 1 6 4 24 1 7 4 27 1 8 5 10 1 9 5 11 1 10 5 14 am 11 6 12 1 12 6 13 1 13 6 15 1 14 7 15 ar 15 7 17 ar 16 8 15 ar 17 8 20 ar 18 9 20 1 19 9 42 1 20 9 43 1 21 10 12 1 22 10 28 1 23 10 29 1 24 11 13 1 25 11 30 1 26 11 31 1 27 12 32 1 28 12 33 1 29 13 34 1 30 13 35 1 31 14 16 1 32 16 18 1 33 16 36 1 34 17 19 ar 35 17 21 ar 36 18 37 1 37 18 38 1 38 18 39 1 39 19 20 ar 40 19 22 ar 41 21 23 ar 42 21 40 1 43 22 24 ar 44 22 41 1 45 23 24 ar 46 25 44 1 47 25 45 1 48 25 46 1 49 26 47 1 50 26 48 1 51 26 49 1 52 27 50 1 53 27 51 1 54 27 52 1