@MOLECULE FDBD03045 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.3631 1.2537 1.1430 C.3 1 UNK -0.0413 2 C1 -0.1909 -0.2665 1.1541 C.3 1 UNK 0.0635 3 C2 -1.2880 -0.9282 1.9905 C.3 1 UNK -0.0413 4 C3 -0.1813 -0.8286 -0.2896 C.3 1 UNK 0.0714 5 O 1.1880 -0.6063 -0.6989 O.3 1 UNK -0.3539 6 C4 1.9863 -0.8626 0.4685 C.3 1 UNK 0.1414 7 C5 2.4791 -2.3109 0.4490 C.3 1 UNK -0.0184 8 C6 3.1837 0.0896 0.4943 C.3 1 UNK -0.0064 9 C7 4.0938 -0.2031 -0.7002 C.3 1 UNK -0.0449 10 C8 5.2912 0.7491 -0.6745 C.3 1 UNK -0.0275 11 C9 6.1876 0.4608 -1.8510 C.ar 1 UNK -0.0473 12 C10 7.2081 -0.4641 -1.7318 C.ar 1 UNK -0.0572 13 C11 8.0306 -0.7290 -2.8105 C.ar 1 UNK -0.0431 14 C12 7.8325 -0.0681 -4.0098 C.ar 1 UNK 0.0410 15 C13 6.8111 0.8575 -4.1284 C.ar 1 UNK -0.0431 16 C14 5.9857 1.1173 -3.0507 C.ar 1 UNK -0.0572 17 Cl 8.8656 -0.3998 -5.3649 Cl 1 UNK -0.0835 18 N 1.1495 -0.6388 1.6585 N.am 1 UNK -0.2066 19 C15 1.5278 -0.7498 2.9473 C.2 1 UNK 0.4922 20 O1 0.7631 -0.4280 3.8348 O.2 1 UNK -0.1974 21 N1 2.7546 -1.2177 3.2515 N.am 1 UNK -0.0734 22 C16 3.2304 -1.5113 4.5077 C.2 1 UNK 0.1942 23 C17 4.4929 -1.9476 4.3529 C.2 1 UNK 0.0968 24 N2 4.7895 -1.9250 3.0438 N.2 1 UNK -0.1960 25 C18 3.7582 -1.4957 2.3722 C.2 1 UNK 0.2699 26 H -0.3669 1.6196 2.1485 H 1 UNK 0.0251 27 H1 -1.2889 1.5043 0.6688 H 1 UNK 0.0251 28 H2 0.4461 1.7004 0.6040 H 1 UNK 0.0251 29 H3 -1.2740 -0.5239 2.9811 H 1 UNK 0.0251 30 H4 -1.1162 -1.9834 2.0335 H 1 UNK 0.0251 31 H5 -2.2410 -0.7400 1.5419 H 1 UNK 0.0251 32 H6 -0.8646 -0.2956 -0.9173 H 1 UNK 0.0582 33 H7 -0.4860 -1.8524 -0.3524 H 1 UNK 0.0582 34 H8 3.0868 -2.4692 -0.4173 H 1 UNK 0.0274 35 H9 1.6391 -2.9731 0.4213 H 1 UNK 0.0274 36 H10 3.0561 -2.5032 1.3294 H 1 UNK 0.0274 37 H11 3.7314 -0.0506 1.4028 H 1 UNK 0.0309 38 H12 2.8369 1.1003 0.4393 H 1 UNK 0.0309 39 H13 3.5461 -0.0630 -1.6087 H 1 UNK 0.0270 40 H14 4.4406 -1.2138 -0.6451 H 1 UNK 0.0270 41 H15 5.8389 0.6090 0.2340 H 1 UNK 0.0313 42 H16 4.9444 1.7598 -0.7296 H 1 UNK 0.0313 43 H17 7.3558 -0.9569 -0.8372 H 1 UNK 0.0621 44 H18 8.7923 -1.4196 -2.7214 H 1 UNK 0.0632 45 H19 6.6655 1.3539 -5.0214 H 1 UNK 0.0632 46 H20 5.2185 1.8015 -3.1416 H 1 UNK 0.0621 47 H21 2.7174 -1.4153 5.3980 H 1 UNK 0.1392 48 H22 5.1255 -2.2483 5.1108 H 1 UNK 0.0892 49 H23 3.7097 -1.3849 1.3473 H 1 UNK 0.1618 @BOND 1 1 2 1 2 2 18 1 3 2 3 1 4 2 4 1 5 4 5 1 6 5 6 1 7 6 7 1 8 6 8 1 9 6 18 1 10 8 9 1 11 9 10 1 12 10 11 1 13 11 16 ar 14 11 12 ar 15 12 13 ar 16 13 14 ar 17 14 15 ar 18 14 17 1 19 15 16 ar 20 18 19 am 21 19 20 2 22 19 21 am 23 21 25 1 24 21 22 1 25 22 23 2 26 23 24 1 27 24 25 2 28 1 26 1 29 1 27 1 30 1 28 1 31 3 29 1 32 3 30 1 33 3 31 1 34 4 32 1 35 4 33 1 36 7 34 1 37 7 35 1 38 7 36 1 39 8 37 1 40 8 38 1 41 9 39 1 42 9 40 1 43 10 41 1 44 10 42 1 45 12 43 1 46 13 44 1 47 15 45 1 48 16 46 1 49 22 47 1 50 23 48 1 51 25 49 1