@MOLECULE FDBD03078 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.2810 1.4475 -0.0980 C.3 1 UNK -0.0574 2 C1 0.0026 -0.0547 -0.0362 C.3 1 UNK -0.0015 3 C2 0.9795 -0.3428 1.1056 C.3 1 UNK -0.0574 4 C3 -1.3047 -0.8110 0.2082 C.3 1 UNK -0.0574 5 C4 0.6168 -0.5127 -1.3606 C.3 1 UNK 0.1635 6 C5 1.9947 0.1297 -1.5329 C.3 1 UNK 0.3578 7 N 2.6379 -0.4091 -2.7338 N.ar 1 UNK -0.0296 8 C6 3.1298 0.2940 -3.7687 C.ar 1 UNK 0.2765 9 N1 3.6205 -0.5521 -4.6376 N.ar 1 UNK -0.2927 10 C7 3.4611 -1.7985 -4.1945 C.ar 1 UNK 0.1652 11 N2 2.8687 -1.7624 -3.0299 N.ar 1 UNK 0.0170 12 O 1.8472 1.5449 -1.6657 O.3 1 UNK -0.4289 13 C8 2.9198 2.3109 -1.3337 C.ar 1 UNK 0.1280 14 C9 4.1169 1.7104 -0.9723 C.ar 1 UNK -0.0183 15 C10 5.2059 2.4906 -0.6351 C.ar 1 UNK -0.0399 16 C11 5.1030 3.8703 -0.6571 C.ar 1 UNK 0.0412 17 C12 3.9096 4.4711 -1.0168 C.ar 1 UNK -0.0399 18 C13 2.8204 3.6943 -1.3611 C.ar 1 UNK -0.0183 19 Cl 6.4726 4.8486 -0.2323 Cl 1 UNK -0.0835 20 O1 0.7516 -1.9353 -1.3565 O.3 1 UNK -0.3809 21 H -0.7105 1.7678 0.8282 H 1 UNK 0.0236 22 H1 -0.9641 1.6489 -0.8965 H 1 UNK 0.0236 23 H2 0.6333 1.9764 -0.2689 H 1 UNK 0.0236 24 H3 0.5500 -0.0225 2.0318 H 1 UNK 0.0236 25 H4 1.8938 0.1860 0.9347 H 1 UNK 0.0236 26 H5 1.1778 -1.3934 1.1488 H 1 UNK 0.0236 27 H6 -1.7342 -0.4907 1.1344 H 1 UNK 0.0236 28 H7 -1.1063 -1.8615 0.2515 H 1 UNK 0.0236 29 H8 -1.9879 -0.6097 -0.5903 H 1 UNK 0.0236 30 H9 -0.0183 -0.2170 -2.1694 H 1 UNK 0.0707 31 H10 2.5989 -0.0871 -0.6769 H 1 UNK 0.1624 32 H11 3.1217 1.3218 -3.8615 H 1 UNK 0.1625 33 H12 4.0442 -0.3048 -5.4912 H 1 UNK 0.1720 34 H13 3.7573 -2.6537 -4.6904 H 1 UNK 0.1090 35 H14 4.1939 0.6814 -0.9554 H 1 UNK 0.0654 36 H15 6.0968 2.0442 -0.3666 H 1 UNK 0.0633 37 H16 3.8332 5.5002 -1.0279 H 1 UNK 0.0633 38 H17 1.9333 4.1428 -1.6385 H 1 UNK 0.0654 39 H18 1.3273 -2.2034 -0.6233 H 1 UNK 0.2103 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 20 1 7 6 7 1 8 6 12 1 9 7 11 ar 10 7 8 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 12 13 1 15 13 18 ar 16 13 14 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 16 19 1 21 17 18 ar 22 1 21 1 23 1 22 1 24 1 23 1 25 3 24 1 26 3 25 1 27 3 26 1 28 4 27 1 29 4 28 1 30 4 29 1 31 5 30 1 32 6 31 1 33 8 32 1 34 9 33 1 35 10 34 1 36 14 35 1 37 15 36 1 38 17 37 1 39 18 38 1 40 20 39 1