@MOLECULE FDBD01390 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5731 0.8784 1.0954 O.3 1 UNK -0.3094 2 O1 -2.0892 2.7308 -1.0634 O.3 1 UNK -0.3803 3 O2 -4.6906 2.5809 -1.8647 O.3 1 UNK -0.3862 4 O3 -6.1246 1.4757 2.1483 O.3 1 UNK -0.3924 5 O4 4.5976 2.9456 -0.2911 O.2 1 UNK -0.2699 6 N -2.0420 -0.6672 0.1459 N.ar 1 UNK -0.1332 7 N1 -2.3085 -2.8761 -0.0208 N.ar 1 UNK -0.2989 8 N2 0.3824 -0.5348 0.0604 N.ar 1 UNK -0.1005 9 N3 1.3855 -2.7489 -0.1578 N.ar 1 UNK -0.1483 10 N4 2.6812 -0.8242 -0.0559 N.ar 1 UNK -0.0403 11 N5 0.0746 -4.7480 -0.2670 N.pl3 1 UNK -0.3411 12 N6 3.7809 -1.5921 -0.1620 N.ar 1 UNK -0.1614 13 N7 6.3771 1.7586 0.5691 N.am 1 UNK -0.3142 14 C -2.6810 1.4327 -1.0626 C.3 1 UNK 0.1728 15 C1 -2.3925 0.7482 0.2747 C.3 1 UNK 0.2980 16 C2 -4.1956 1.5197 -1.0767 C.3 1 UNK 0.1183 17 C3 -4.5222 1.6997 0.3957 C.3 1 UNK 0.1169 18 C4 -5.9342 1.2762 0.7585 C.3 1 UNK 0.0732 19 C5 -0.7848 -1.1961 0.0533 C.ar 1 UNK 0.3422 20 C6 -2.9222 -1.7171 0.0972 C.ar 1 UNK 0.2499 21 C7 -0.9722 -2.5652 -0.0495 C.ar 1 UNK 0.1773 22 C8 0.1714 -3.3501 -0.1583 C.ar 1 UNK 0.1564 23 C9 1.4151 -1.3985 -0.0500 C.ar 1 UNK 0.4447 24 C10 2.9530 0.5108 0.0388 C.ar 1 UNK 0.2194 25 C11 4.3213 0.6220 -0.0085 C.ar 1 UNK 0.1238 26 C12 4.7779 -0.7038 -0.1323 C.ar 1 UNK 0.0788 27 C13 5.0688 1.8401 0.0575 C.2 1 UNK 0.2512 28 C14 7.2461 2.9028 0.7259 C.3 1 UNK 0.0004 29 H -1.1230 2.6457 -1.0543 H 1 UNK 0.2103 30 H1 -4.4613 2.4274 -2.7946 H 1 UNK 0.2100 31 H2 -7.0244 1.2084 2.3930 H 1 UNK 0.2095 32 H3 -2.7183 -3.7695 -0.0763 H 1 UNK 0.1712 33 H4 0.8906 -5.2935 -0.3435 H 1 UNK 0.1438 34 H5 -0.8092 -5.1817 -0.2667 H 1 UNK 0.1438 35 H6 3.8371 -2.5717 -0.2421 H 1 UNK 0.2365 36 H7 6.7190 0.8744 0.8346 H 1 UNK 0.1487 37 H8 -2.2909 0.9192 -1.9164 H 1 UNK 0.0716 38 H9 -1.5404 1.2252 0.7122 H 1 UNK 0.1445 39 H10 -4.6528 0.6604 -1.5210 H 1 UNK 0.0649 40 H11 -4.4638 2.7359 0.6561 H 1 UNK 0.0648 41 H12 -6.6391 1.8655 0.2101 H 1 UNK 0.0584 42 H13 -6.0797 0.2446 0.5147 H 1 UNK 0.0584 43 H14 -3.9475 -1.6113 0.1472 H 1 UNK 0.1600 44 H15 2.2699 1.2792 0.1277 H 1 UNK 0.1415 45 H16 5.7753 -0.9616 -0.1935 H 1 UNK 0.0872 46 H17 6.7373 3.7848 0.3971 H 1 UNK 0.0426 47 H18 8.1305 2.7619 0.1403 H 1 UNK 0.0426 48 H19 7.5139 3.0088 1.7564 H 1 UNK 0.0426 @BOND 1 1 15 1 2 1 17 1 3 2 14 1 4 3 16 1 5 4 18 1 6 5 27 2 7 6 15 1 8 6 19 ar 9 6 20 ar 10 7 20 ar 11 7 21 ar 12 8 19 ar 13 8 23 ar 14 9 22 ar 15 9 23 ar 16 10 12 ar 17 10 23 1 18 10 24 ar 19 11 22 1 20 12 26 ar 21 13 27 am 22 13 28 1 23 14 15 1 24 14 16 1 25 16 17 1 26 17 18 1 27 19 21 ar 28 21 22 ar 29 24 25 ar 30 25 26 ar 31 25 27 1 32 2 29 1 33 3 30 1 34 4 31 1 35 7 32 1 36 11 33 1 37 11 34 1 38 12 35 1 39 13 36 1 40 14 37 1 41 15 38 1 42 16 39 1 43 17 40 1 44 18 41 1 45 18 42 1 46 20 43 1 47 24 44 1 48 26 45 1 49 28 46 1 50 28 47 1 51 28 48 1