@MOLECULE FDBD00316 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6987 2.5018 0.5331 O.3 1 UNK -0.4913 2 O1 -2.7534 -2.1358 -0.6625 O.3 1 UNK -0.4913 3 O2 -3.9726 0.3515 -0.6609 O.3 1 UNK -0.4885 4 N 3.8404 -0.9052 -0.7646 N.ar 1 UNK -0.1999 5 N1 3.8224 1.4185 -0.1267 N.ar 1 UNK -0.2227 6 N2 2.2723 -2.4149 0.1769 N.pl3 1 UNK -0.3428 7 N3 5.3815 0.6079 -1.6816 N.pl3 1 UNK -0.3274 8 C 1.0829 -0.3313 1.7553 C.3 1 UNK 0.0025 9 C1 -0.2528 -0.1509 1.1170 C.ar 1 UNK -0.0358 10 C2 2.2494 -0.1025 0.8154 C.ar 1 UNK 0.0146 11 C3 -0.8913 -1.2361 0.5168 C.ar 1 UNK -0.0126 12 C4 -0.8638 1.1031 1.1202 C.ar 1 UNK -0.0126 13 C5 -2.1131 1.2718 0.5231 C.ar 1 UNK 0.1654 14 C6 -2.1406 -1.0674 -0.0803 C.ar 1 UNK 0.1654 15 C7 -2.7514 0.1866 -0.0773 C.ar 1 UNK 0.2035 16 C8 2.8016 -1.1049 0.0730 C.ar 1 UNK 0.1247 17 C9 2.7843 1.1476 0.6914 C.ar 1 UNK 0.0379 18 C10 4.2945 0.3616 -0.8148 C.ar 1 UNK 0.2142 19 C11 -2.4122 3.3649 -0.5656 C.3 1 UNK 0.0790 20 C12 -3.6094 -2.9217 0.1643 C.3 1 UNK 0.0790 21 C13 -4.0701 0.0555 -2.0521 C.3 1 UNK 0.0791 22 H 2.6621 -3.1468 -0.3537 H 1 UNK 0.1437 23 H1 1.5146 -2.5933 0.7797 H 1 UNK 0.1437 24 H2 5.7668 -0.1284 -2.2094 H 1 UNK 0.1452 25 H3 5.7541 1.5160 -1.7582 H 1 UNK 0.1452 26 H4 1.1443 -1.3313 2.1310 H 1 UNK 0.0363 27 H5 1.1589 0.4040 2.5289 H 1 UNK 0.0363 28 H6 -0.4394 -2.1639 0.5145 H 1 UNK 0.0658 29 H7 -0.3915 1.9060 1.5643 H 1 UNK 0.0658 30 H8 2.3778 1.9169 1.2463 H 1 UNK 0.0834 31 H9 -2.9307 4.2918 -0.4357 H 1 UNK 0.0660 32 H10 -2.7320 2.9019 -1.4757 H 1 UNK 0.0660 33 H11 -1.3590 3.5485 -0.6097 H 1 UNK 0.0660 34 H12 -4.0240 -3.7228 -0.4112 H 1 UNK 0.0660 35 H13 -4.4001 -2.3086 0.5437 H 1 UNK 0.0660 36 H14 -3.0463 -3.3233 0.9808 H 1 UNK 0.0660 37 H15 -5.0733 0.2250 -2.3834 H 1 UNK 0.0660 38 H16 -3.8079 -0.9685 -2.2181 H 1 UNK 0.0660 39 H17 -3.4023 0.6878 -2.5990 H 1 UNK 0.0660 @BOND 1 1 13 1 2 1 19 1 3 2 14 1 4 2 20 1 5 3 15 1 6 3 21 1 7 4 16 ar 8 4 18 ar 9 5 17 ar 10 5 18 ar 11 6 16 1 12 7 18 1 13 8 9 1 14 8 10 1 15 9 11 ar 16 9 12 ar 17 10 16 ar 18 10 17 ar 19 11 14 ar 20 12 13 ar 21 13 15 ar 22 14 15 ar 23 6 22 1 24 6 23 1 25 7 24 1 26 7 25 1 27 8 26 1 28 8 27 1 29 11 28 1 30 12 29 1 31 17 30 1 32 19 31 1 33 19 32 1 34 19 33 1 35 20 34 1 36 20 35 1 37 20 36 1 38 21 37 1 39 21 38 1 40 21 39 1