@MOLECULE FDBD02255 47 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5839 2.6851 0.4332 C.3 1 UNK -0.0585 2 C1 4.5132 1.1737 0.2061 C.3 1 UNK -0.0143 3 C2 3.6639 0.7243 -0.9846 C.3 1 UNK -0.0585 4 C3 5.7602 0.3508 0.5355 C.3 1 UNK -0.0011 5 C4 6.0587 -0.8404 -0.3381 C.2 1 UNK -0.0499 6 C5 7.1879 -0.8982 -1.0062 C.2 1 UNK 0.1029 7 Cl 8.3367 0.3974 -0.8829 Cl 1 UNK -0.0708 8 Cl1 7.5317 -2.2704 -2.0125 Cl 1 UNK -0.0708 9 C6 4.5302 0.2720 1.4420 C.3 1 UNK 0.0689 10 C7 4.6155 0.9401 2.7902 C.2 1 UNK 0.3129 11 O 4.6678 2.1449 2.8651 O.2 1 UNK -0.2504 12 O1 4.6334 0.1968 3.9077 O.3 1 UNK -0.4412 13 C8 4.7167 0.9076 5.1710 C.3 1 UNK 0.2129 14 C9 6.1303 1.0914 5.5382 C.1 1 UNK 0.1123 15 N 7.2212 1.2333 5.8216 N.1 1 UNK -0.1923 16 C10 4.0188 0.1107 6.2428 C.ar 1 UNK 0.0103 17 C11 4.1575 -1.2647 6.2819 C.ar 1 UNK -0.0538 18 C12 3.5190 -1.9988 7.2641 C.ar 1 UNK -0.0579 19 C13 2.7399 -1.3596 8.2092 C.ar 1 UNK -0.0193 20 C14 2.5991 0.0201 8.1724 C.ar 1 UNK 0.1288 21 C15 3.2458 0.7551 7.1887 C.ar 1 UNK -0.0116 22 O2 1.8334 0.6511 9.1008 O.3 1 UNK -0.4560 23 C16 1.6361 1.9885 8.9627 C.ar 1 UNK 0.1284 24 C17 0.5714 2.4597 8.2079 C.ar 1 UNK -0.0193 25 C18 0.3731 3.8197 8.0691 C.ar 1 UNK -0.0583 26 C19 1.2347 4.7112 8.6813 C.ar 1 UNK -0.0615 27 C20 2.2967 4.2443 9.4337 C.ar 1 UNK -0.0583 28 C21 2.4956 2.8853 9.5811 C.ar 1 UNK -0.0193 29 H 3.6491 3.1304 0.1633 H 1 UNK 0.0235 30 H1 5.3641 3.1003 -0.1700 H 1 UNK 0.0235 31 H2 4.7879 2.8816 1.4650 H 1 UNK 0.0235 32 H3 2.8305 1.3857 -1.0981 H 1 UNK 0.0235 33 H4 3.3090 -0.2707 -0.8143 H 1 UNK 0.0235 34 H5 4.2583 0.7436 -1.8741 H 1 UNK 0.0235 35 H6 6.7965 0.5725 0.6832 H 1 UNK 0.0357 36 H7 5.3758 -1.6107 -0.4113 H 1 UNK 0.0598 37 H8 3.9107 -0.5187 1.8108 H 1 UNK 0.0425 38 H9 4.2461 1.8637 5.0740 H 1 UNK 0.0948 39 H10 4.7387 -1.7440 5.5766 H 1 UNK 0.0622 40 H11 3.6244 -3.0250 7.2914 H 1 UNK 0.0619 41 H12 2.2631 -1.9080 8.9419 H 1 UNK 0.0654 42 H13 3.1492 1.7823 7.1640 H 1 UNK 0.0658 43 H14 -0.0718 1.7947 7.7506 H 1 UNK 0.0654 44 H15 -0.4188 4.1706 7.5080 H 1 UNK 0.0619 45 H16 1.0849 5.7269 8.5765 H 1 UNK 0.0618 46 H17 2.9413 4.9117 9.8855 H 1 UNK 0.0619 47 H18 3.2827 2.5373 10.1506 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 9 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 9 1 7 5 6 2 8 6 7 1 9 6 8 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 13 16 1 16 14 15 3 17 16 21 ar 18 16 17 ar 19 17 18 ar 20 18 19 ar 21 19 20 ar 22 20 21 ar 23 20 22 1 24 22 23 1 25 23 28 ar 26 23 24 ar 27 24 25 ar 28 25 26 ar 29 26 27 ar 30 27 28 ar 31 1 29 1 32 1 30 1 33 1 31 1 34 3 32 1 35 3 33 1 36 3 34 1 37 4 35 1 38 5 36 1 39 9 37 1 40 13 38 1 41 17 39 1 42 18 40 1 43 19 41 1 44 21 42 1 45 24 43 1 46 25 44 1 47 26 45 1 48 27 46 1 49 28 47 1