@MOLECULE FDBD02249 47 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.8641 0.5220 -2.6271 C.3 1 UNK -0.0585 2 C1 3.8685 -0.9971 -2.4450 C.3 1 UNK -0.0143 3 C2 3.0596 -1.7876 -3.4753 C.3 1 UNK -0.0585 4 C3 5.1479 -1.6403 -1.9062 C.3 1 UNK -0.0011 5 C4 6.3073 -0.7291 -1.5957 C.2 1 UNK -0.0499 6 C5 7.4535 -0.8900 -2.2162 C.2 1 UNK 0.1029 7 Cl 7.6330 -2.1523 -3.3943 Cl 1 UNK -0.0708 8 Cl1 8.7892 0.1597 -1.8585 Cl 1 UNK -0.0708 9 C6 3.9094 -1.5369 -1.0139 C.3 1 UNK 0.0689 10 C7 3.9423 -0.5316 0.1083 C.2 1 UNK 0.3129 11 O 3.9360 0.6510 -0.1396 O.2 1 UNK -0.2504 12 O1 3.9785 -0.9499 1.3832 O.3 1 UNK -0.4412 13 C8 4.0087 0.0740 2.4123 C.3 1 UNK 0.2129 14 C9 2.6317 0.4210 2.7998 C.1 1 UNK 0.1123 15 N 1.5690 0.6888 3.0988 N.1 1 UNK -0.1923 16 C10 4.7535 -0.4448 3.6153 C.ar 1 UNK 0.0105 17 C11 4.6609 -1.7802 3.9615 C.ar 1 UNK -0.0511 18 C12 5.3429 -2.2603 5.0642 C.ar 1 UNK -0.0224 19 C13 6.1197 -1.4045 5.8243 C.ar 1 UNK 0.1654 20 C14 6.2137 -0.0624 5.4777 C.ar 1 UNK 0.1638 21 C15 5.5324 0.4136 4.3674 C.ar 1 UNK -0.0088 22 O2 6.9758 0.7816 6.2226 O.3 1 UNK -0.4531 23 C16 6.9561 2.1035 5.9090 C.ar 1 UNK 0.1286 24 C17 6.0099 2.9402 6.4835 C.ar 1 UNK -0.0193 25 C18 5.9921 4.2837 6.1630 C.ar 1 UNK -0.0583 26 C19 6.9161 4.7951 5.2704 C.ar 1 UNK -0.0615 27 C20 7.8598 3.9635 4.6961 C.ar 1 UNK -0.0583 28 C21 7.8859 2.6204 5.0180 C.ar 1 UNK -0.0193 29 F 6.7856 -1.8730 6.9024 F 1 UNK -0.2016 30 H 2.9136 0.8329 -3.0076 H 1 UNK 0.0235 31 H1 4.6329 0.8007 -3.3171 H 1 UNK 0.0235 32 H2 4.0427 0.9948 -1.6840 H 1 UNK 0.0235 33 H3 2.1977 -1.2221 -3.7621 H 1 UNK 0.0235 34 H4 2.7495 -2.7181 -3.0476 H 1 UNK 0.0235 35 H5 3.6658 -1.9754 -4.3368 H 1 UNK 0.0235 36 H6 5.7870 -2.4371 -2.2250 H 1 UNK 0.0357 37 H7 6.2006 0.0214 -0.8954 H 1 UNK 0.0598 38 H8 3.3227 -2.2313 -0.4496 H 1 UNK 0.0425 39 H9 4.5031 0.9446 2.0348 H 1 UNK 0.0948 40 H10 4.0815 -2.4199 3.3957 H 1 UNK 0.0623 41 H11 5.2724 -3.2575 5.3203 H 1 UNK 0.0647 42 H12 5.6072 1.4084 4.1031 H 1 UNK 0.0659 43 H13 5.3200 2.5590 7.1497 H 1 UNK 0.0654 44 H14 5.2886 4.9063 6.5901 H 1 UNK 0.0619 45 H15 6.9014 5.7992 5.0324 H 1 UNK 0.0618 46 H16 8.5452 4.3466 4.0264 H 1 UNK 0.0619 47 H17 8.5963 2.0020 4.5962 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 19 29 1 23 20 21 ar 24 20 22 1 25 22 23 1 26 23 28 ar 27 23 24 ar 28 24 25 ar 29 25 26 ar 30 26 27 ar 31 27 28 ar 32 1 30 1 33 1 31 1 34 1 32 1 35 3 33 1 36 3 34 1 37 3 35 1 38 4 36 1 39 5 37 1 40 9 38 1 41 13 39 1 42 17 40 1 43 18 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