@MOLECULE FDBD02268 52 54 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4623 -0.4426 1.8965 C.3 1 UNK -0.0616 2 C1 -2.8452 -1.8287 1.6999 C.3 1 UNK -0.0297 3 C2 -1.6359 -1.9844 2.6242 C.3 1 UNK -0.0616 4 C3 -3.8838 -2.9014 2.0339 C.3 1 UNK 0.0838 5 C4 -5.0749 -2.7481 1.1235 C.ar 1 UNK -0.0334 6 C5 -4.9168 -2.8575 -0.2455 C.ar 1 UNK -0.0564 7 C6 -6.0088 -2.7169 -1.0810 C.ar 1 UNK -0.0431 8 C7 -7.2604 -2.4668 -0.5469 C.ar 1 UNK 0.0410 9 C8 -7.4180 -2.3574 0.8232 C.ar 1 UNK -0.0431 10 C9 -6.3261 -2.5038 1.6580 C.ar 1 UNK -0.0564 11 Cl -8.6324 -2.2896 -1.5957 Cl 1 UNK -0.0835 12 C10 -3.2759 -4.2667 1.8402 C.2 1 UNK 0.3164 13 O -3.7602 -5.0363 1.0445 O.2 1 UNK -0.2501 14 O1 -2.1965 -4.6278 2.5516 O.3 1 UNK -0.4410 15 C11 -1.6645 -5.9577 2.3131 C.3 1 UNK 0.2129 16 C12 -2.3096 -6.9152 3.2261 C.1 1 UNK 0.1123 17 N -2.8074 -7.6542 3.9308 N.1 1 UNK -0.1923 18 C13 -0.1773 -5.9549 2.5568 C.ar 1 UNK 0.0103 19 C14 0.3467 -5.2470 3.6230 C.ar 1 UNK -0.0538 20 C15 1.7105 -5.2428 3.8497 C.ar 1 UNK -0.0579 21 C16 2.5536 -5.9458 3.0108 C.ar 1 UNK -0.0193 22 C17 2.0305 -6.6568 1.9405 C.ar 1 UNK 0.1288 23 C18 0.6606 -6.6640 1.7185 C.ar 1 UNK -0.0116 24 O2 2.8575 -7.3490 1.1139 O.3 1 UNK -0.4560 25 C19 2.3147 -7.9410 0.0178 C.ar 1 UNK 0.1284 26 C20 2.2118 -7.2366 -1.1733 C.ar 1 UNK -0.0193 27 C21 1.6595 -7.8407 -2.2860 C.ar 1 UNK -0.0583 28 C22 1.2091 -9.1460 -2.2136 C.ar 1 UNK -0.0615 29 C23 1.3102 -9.8500 -1.0279 C.ar 1 UNK -0.0583 30 C24 1.8677 -9.2528 0.0860 C.ar 1 UNK -0.0193 31 H -2.7360 0.3076 1.6629 H 1 UNK 0.0233 32 H1 -3.7745 -0.3322 2.9140 H 1 UNK 0.0233 33 H2 -4.3080 -0.3338 1.2501 H 1 UNK 0.0233 34 H3 -2.5330 -1.9390 0.6824 H 1 UNK 0.0306 35 H4 -1.9481 -1.8741 3.6417 H 1 UNK 0.0233 36 H5 -0.9095 -1.2342 2.3907 H 1 UNK 0.0233 37 H6 -1.2043 -2.9538 2.4867 H 1 UNK 0.0233 38 H7 -4.1960 -2.7911 3.0514 H 1 UNK 0.0465 39 H8 -3.9832 -3.0442 -0.6437 H 1 UNK 0.0621 40 H9 -5.8906 -2.7984 -2.1030 H 1 UNK 0.0632 41 H10 -8.3506 -2.1665 1.2219 H 1 UNK 0.0632 42 H11 -6.4450 -2.4307 2.6805 H 1 UNK 0.0621 43 H12 -1.8595 -6.2436 1.3006 H 1 UNK 0.0948 44 H13 -0.2814 -4.7209 4.2505 H 1 UNK 0.0622 45 H14 2.0991 -4.7141 4.6462 H 1 UNK 0.0619 46 H15 3.5716 -5.9420 3.1802 H 1 UNK 0.0654 47 H16 0.2683 -7.1987 0.9278 H 1 UNK 0.0658 48 H17 2.5476 -6.2623 -1.2278 H 1 UNK 0.0654 49 H18 1.5830 -7.3173 -3.1721 H 1 UNK 0.0619 50 H19 0.7968 -9.5955 -3.0460 H 1 UNK 0.0618 51 H20 0.9689 -10.8225 -0.9750 H 1 UNK 0.0619 52 H21 1.9517 -9.7818 0.9681 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 4 12 1 6 5 10 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 8 11 1 12 9 10 ar 13 12 13 2 14 12 14 1 15 14 15 1 16 15 16 1 17 15 18 1 18 16 17 3 19 18 23 ar 20 18 19 ar 21 19 20 ar 22 20 21 ar 23 21 22 ar 24 22 23 ar 25 22 24 1 26 24 25 1 27 25 30 ar 28 25 26 ar 29 26 27 ar 30 27 28 ar 31 28 29 ar 32 29 30 ar 33 1 31 1 34 1 32 1 35 1 33 1 36 2 34 1 37 3 35 1 38 3 36 1 39 3 37 1 40 4 38 1 41 6 39 1 42 7 40 1 43 9 41 1 44 10 42 1 45 15 43 1 46 19 44 1 47 20 45 1 48 21 46 1 49 23 47 1 50 26 48 1 51 27 49 1 52 28 50 1 53 29 51 1 54 30 52 1