@MOLECULE FDBD02364 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.4924 -11.0970 2.7017 C.3 1 UNK -0.0454 2 C1 1.4517 -9.9227 2.7701 C.3 1 UNK 0.0403 3 N 0.6787 -8.6890 2.7902 N.2 1 UNK -0.2519 4 C2 0.9864 -7.7271 3.5755 C.2 1 UNK 0.2243 5 C3 2.0856 -7.5649 4.6260 C.3 1 UNK 0.1718 6 C4 1.5618 -8.1434 5.9402 C.3 1 UNK -0.0190 7 O 3.3319 -8.1950 4.3566 O.3 1 UNK -0.4774 8 C5 4.0678 -7.7828 3.2829 C.ar 1 UNK 0.1552 9 C6 3.8836 -6.5746 2.6091 C.ar 1 UNK 0.0247 10 C7 4.6708 -6.2503 1.4938 C.ar 1 UNK 0.1321 11 C8 5.6877 -7.1095 1.0659 C.ar 1 UNK -0.0169 12 C9 5.8852 -8.3238 1.7222 C.ar 1 UNK -0.0244 13 C10 5.0784 -8.6372 2.8238 C.ar 1 UNK 0.1678 14 N1 5.2919 -9.9138 3.4749 N.pl3 1 UNK 0.0600 15 O1 5.0058 -10.9267 2.8212 O.2 1 UNK -0.1260 16 O2 5.7846 -9.8994 4.6108 O.2 1 UNK -0.1260 17 O3 4.4205 -5.0141 0.9456 O.3 1 UNK -0.4544 18 C11 4.5286 -4.8129 -0.4114 C.ar 1 UNK 0.1467 19 C12 4.1537 -5.7712 -1.3612 C.ar 1 UNK -0.0165 20 C13 4.2470 -5.4778 -2.7251 C.ar 1 UNK -0.0398 21 C14 4.6790 -4.2179 -3.1388 C.ar 1 UNK 0.0426 22 C15 5.0167 -3.2432 -2.2043 C.ar 1 UNK -0.0215 23 C16 4.9374 -3.5414 -0.8430 C.ar 1 UNK 0.0845 24 Cl 5.3487 -2.3013 0.2884 Cl 1 UNK -0.0797 25 Cl1 4.7800 -3.8600 -4.8182 Cl 1 UNK -0.0835 26 O4 0.1757 -6.6545 3.5104 O.2 1 UNK -0.4931 27 H 1.0482 -12.0112 2.6863 H 1 UNK 0.0247 28 H1 -0.0983 -11.0237 1.8125 H 1 UNK 0.0247 29 H2 -0.1490 -11.0839 3.5580 H 1 UNK 0.0247 30 H3 2.0934 -9.9316 1.9139 H 1 UNK 0.0506 31 H4 2.0505 -9.9922 3.6541 H 1 UNK 0.0506 32 H5 2.2952 -6.5158 4.6448 H 1 UNK 0.0830 33 H6 1.3830 -9.1917 5.8223 H 1 UNK 0.0270 34 H7 0.6486 -7.6536 6.2067 H 1 UNK 0.0270 35 H8 2.2872 -7.9899 6.7117 H 1 UNK 0.0270 36 H9 3.1613 -5.9132 2.9344 H 1 UNK 0.0692 37 H10 6.2884 -6.8464 0.2691 H 1 UNK 0.0655 38 H11 6.6137 -8.9808 1.4017 H 1 UNK 0.0643 39 H12 3.8085 -6.6941 -1.0544 H 1 UNK 0.0655 40 H13 3.9963 -6.1932 -3.4254 H 1 UNK 0.0633 41 H14 5.3231 -2.3081 -2.5152 H 1 UNK 0.0648 42 H15 -0.5358 -6.6413 2.9008 H 1 UNK 0.2935 @BOND 1 8 9 ar 2 9 10 ar 3 8 13 ar 4 12 13 ar 5 11 12 ar 6 10 11 ar 7 18 19 ar 8 19 20 ar 9 18 23 ar 10 22 23 ar 11 21 22 ar 12 20 21 ar 13 1 2 1 14 2 3 1 15 3 4 2 16 4 26 1 17 4 5 1 18 5 7 1 19 7 8 1 20 10 17 1 21 17 18 1 22 21 25 1 23 23 24 1 24 13 14 1 25 14 16 2 26 14 15 2 27 5 6 1 28 1 27 1 29 1 28 1 30 1 29 1 31 2 30 1 32 2 31 1 33 5 32 1 34 6 33 1 35 6 34 1 36 6 35 1 37 9 36 1 38 11 37 1 39 12 38 1 40 19 39 1 41 20 40 1 42 22 41 1 43 26 42 1