@MOLECULE FDBD03079 43 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0541 1.3446 -0.3939 C.3 1 UNK -0.0567 2 C1 -0.0373 -0.1362 -0.0201 C.3 1 UNK 0.0042 3 C2 -1.4972 -0.5514 0.1725 C.3 1 UNK -0.0567 4 C3 0.6436 -1.0137 -1.1011 C.3 1 UNK -0.0409 5 C4 2.1402 -0.9120 -0.7153 C.3 1 UNK -0.0279 6 C5 2.1408 -0.9153 0.8031 C.2 1 UNK -0.0312 7 C6 3.1455 -1.2795 1.5876 C.2 1 UNK -0.0524 8 C7 4.4674 -1.5852 1.0014 C.ar 1 UNK -0.0249 9 C8 4.8899 -0.9279 -0.1547 C.ar 1 UNK -0.0532 10 C9 6.1248 -1.2173 -0.6972 C.ar 1 UNK -0.0428 11 C10 6.9442 -2.1585 -0.0972 C.ar 1 UNK 0.0410 12 C11 6.5301 -2.8143 1.0498 C.ar 1 UNK -0.0428 13 C12 5.3002 -2.5282 1.6052 C.ar 1 UNK -0.0532 14 Cl 8.4966 -2.5180 -0.7860 Cl 1 UNK -0.0835 15 C13 0.7812 -0.4248 1.2554 C.3 1 UNK 0.1533 16 C14 0.9345 0.8554 2.0791 C.3 1 UNK 0.2103 17 N 1.8330 0.6045 3.2088 N.ar 1 UNK -0.0682 18 C15 2.9454 1.2916 3.5214 C.ar 1 UNK 0.2726 19 N1 3.4632 0.7576 4.5977 N.ar 1 UNK -0.2928 20 C16 2.7130 -0.2676 4.9995 C.ar 1 UNK 0.1651 21 N2 1.7000 -0.3976 4.1837 N.ar 1 UNK 0.0139 22 O 0.1328 -1.4324 2.0342 O.3 1 UNK -0.3773 23 H -0.4206 1.9335 0.3630 H 1 UNK 0.0236 24 H1 -0.4356 1.5067 -1.3314 H 1 UNK 0.0236 25 H2 1.0824 1.6292 -0.4747 H 1 UNK 0.0236 26 H3 -1.9477 0.0658 0.9216 H 1 UNK 0.0236 27 H4 -1.5391 -1.5750 0.4812 H 1 UNK 0.0236 28 H5 -2.0258 -0.4353 -0.7505 H 1 UNK 0.0236 29 H6 0.4692 -0.6244 -2.0824 H 1 UNK 0.0274 30 H7 0.2764 -2.0183 -1.1308 H 1 UNK 0.0274 31 H8 2.5674 -0.0062 -1.0920 H 1 UNK 0.0311 32 H9 2.7218 -1.7114 -1.1248 H 1 UNK 0.0311 33 H10 3.0046 -1.3496 2.6075 H 1 UNK 0.0624 34 H11 4.2797 -0.2266 -0.6030 H 1 UNK 0.0624 35 H12 6.4385 -0.7314 -1.5519 H 1 UNK 0.0632 36 H13 7.1427 -3.5185 1.4901 H 1 UNK 0.0632 37 H14 4.9966 -3.0106 2.4655 H 1 UNK 0.0624 38 H15 -0.0233 1.1603 2.4460 H 1 UNK 0.1089 39 H16 1.3433 1.6290 1.4632 H 1 UNK 0.1089 40 H17 3.3247 2.0993 3.0029 H 1 UNK 0.1623 41 H18 4.2844 1.0670 5.0440 H 1 UNK 0.1720 42 H19 2.9012 -0.8625 5.8215 H 1 UNK 0.1090 43 H20 0.0396 -2.2400 1.5051 H 1 UNK 0.2109 @BOND 1 1 2 1 2 2 15 1 3 2 3 1 4 2 4 1 5 4 5 1 6 5 6 1 7 6 7 2 8 6 15 1 9 7 8 1 10 8 13 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 11 14 1 16 12 13 ar 17 15 16 1 18 15 22 1 19 16 17 1 20 17 21 ar 21 17 18 ar 22 18 19 ar 23 19 20 ar 24 20 21 ar 25 1 23 1 26 1 24 1 27 1 25 1 28 3 26 1 29 3 27 1 30 3 28 1 31 4 29 1 32 4 30 1 33 5 31 1 34 5 32 1 35 7 33 1 36 9 34 1 37 10 35 1 38 12 36 1 39 13 37 1 40 16 38 1 41 16 39 1 42 18 40 1 43 19 41 1 44 20 42 1 45 22 43 1