@MOLECULE FDBD02251 50 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.6193 -0.0177 -4.9582 C.3 1 UNK -0.0585 2 C1 4.2840 -0.4176 -4.3274 C.3 1 UNK -0.0144 3 C2 3.0614 -0.2989 -5.2396 C.3 1 UNK -0.0585 4 C3 4.2976 -1.5589 -3.3085 C.3 1 UNK -0.0019 5 C4 5.6252 -2.2035 -3.0035 C.2 1 UNK -0.0567 6 C5 5.7997 -3.4838 -3.2288 C.2 1 UNK 0.1170 7 C6 7.1273 -4.1284 -2.9238 C.3 1 UNK 0.4275 8 F 8.0063 -3.1670 -2.4137 F 1 UNK -0.1651 9 F1 6.9465 -5.1434 -1.9781 F 1 UNK -0.1651 10 F2 7.6615 -4.6733 -4.0964 F 1 UNK -0.1651 11 Cl 4.5014 -4.4357 -3.8783 Cl 1 UNK -0.0794 12 C7 4.0874 -0.1176 -2.8400 C.3 1 UNK 0.0689 13 C8 5.2236 0.5488 -2.1080 C.2 1 UNK 0.3129 14 O 5.3580 1.7482 -2.1648 O.2 1 UNK -0.2504 15 O1 6.0864 -0.1900 -1.3928 O.3 1 UNK -0.4412 16 C9 7.1563 0.5190 -0.7139 C.3 1 UNK 0.2129 17 C10 8.3240 0.6151 -1.6051 C.1 1 UNK 0.1123 18 N 9.2251 0.6893 -2.2929 N.1 1 UNK -0.1923 19 C11 7.5396 -0.2286 0.5372 C.ar 1 UNK 0.0103 20 C12 7.6066 -1.6099 0.5235 C.ar 1 UNK -0.0538 21 C13 7.9582 -2.2987 1.6694 C.ar 1 UNK -0.0579 22 C14 8.2433 -1.6084 2.8318 C.ar 1 UNK -0.0193 23 C15 8.1768 -0.2227 2.8482 C.ar 1 UNK 0.1288 24 C16 7.8291 0.4666 1.6950 C.ar 1 UNK -0.0116 25 O2 8.4566 0.4586 3.9901 O.3 1 UNK -0.4560 26 C17 8.2959 1.8079 3.9836 C.ar 1 UNK 0.1284 27 C18 7.1530 2.3742 4.5299 C.ar 1 UNK -0.0193 28 C19 6.9920 3.7461 4.5220 C.ar 1 UNK -0.0583 29 C20 7.9682 4.5549 3.9699 C.ar 1 UNK -0.0615 30 C21 9.1078 3.9930 3.4245 C.ar 1 UNK -0.0583 31 C22 9.2768 2.6220 3.4358 C.ar 1 UNK -0.0193 32 H 5.4621 0.7866 -5.6461 H 1 UNK 0.0235 33 H1 6.0333 -0.8561 -5.4783 H 1 UNK 0.0235 34 H2 6.2963 0.2960 -4.1913 H 1 UNK 0.0235 35 H3 3.1862 0.5365 -5.8964 H 1 UNK 0.0235 36 H4 2.1843 -0.1561 -4.6437 H 1 UNK 0.0235 37 H5 2.9587 -1.1941 -5.8167 H 1 UNK 0.0235 38 H6 3.7618 -2.4780 -3.1937 H 1 UNK 0.0357 39 H7 6.3970 -1.6376 -2.6174 H 1 UNK 0.0589 40 H8 3.3436 0.3899 -2.2620 H 1 UNK 0.0425 41 H9 6.8239 1.5023 -0.4542 H 1 UNK 0.0948 42 H10 7.3938 -2.1274 -0.3437 H 1 UNK 0.0622 43 H11 8.0078 -3.3294 1.6566 H 1 UNK 0.0619 44 H12 8.5055 -2.1231 3.6870 H 1 UNK 0.0654 45 H13 7.7869 1.4977 1.7025 H 1 UNK 0.0658 46 H14 6.4239 1.7710 4.9417 H 1 UNK 0.0654 47 H15 6.1423 4.1678 4.9285 H 1 UNK 0.0619 48 H16 7.8460 5.5796 3.9649 H 1 UNK 0.0618 49 H17 9.8328 4.5984 3.0086 H 1 UNK 0.0619 50 H18 10.1319 2.2037 3.0372 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 12 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 12 1 7 5 6 2 8 6 7 1 9 6 11 1 10 7 8 1 11 7 9 1 12 7 10 1 13 12 13 1 14 13 14 2 15 13 15 1 16 15 16 1 17 16 17 1 18 16 19 1 19 17 18 3 20 19 24 ar 21 19 20 ar 22 20 21 ar 23 21 22 ar 24 22 23 ar 25 23 24 ar 26 23 25 1 27 25 26 1 28 26 31 ar 29 26 27 ar 30 27 28 ar 31 28 29 ar 32 29 30 ar 33 30 31 ar 34 1 32 1 35 1 33 1 36 1 34 1 37 3 35 1 38 3 36 1 39 3 37 1 40 4 38 1 41 5 39 1 42 12 40 1 43 16 41 1 44 20 42 1 45 21 43 1 46 22 44 1 47 24 45 1 48 27 46 1 49 28 47 1 50 29 48 1 51 30 49 1 52 31 50 1