@MOLECULE FDBD02267 52 54 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1231 2.5672 1.7662 C.3 1 UNK -0.0616 2 C1 3.5469 1.1504 1.7265 C.3 1 UNK -0.0297 3 C2 3.6045 0.6164 0.2939 C.3 1 UNK -0.0616 4 C3 4.3669 0.2405 2.6433 C.3 1 UNK 0.0838 5 C4 4.3102 0.7665 4.0544 C.ar 1 UNK -0.0334 6 C5 3.0939 0.8771 4.7021 C.ar 1 UNK -0.0564 7 C6 3.0413 1.3594 5.9963 C.ar 1 UNK -0.0431 8 C7 4.2061 1.7316 6.6435 C.ar 1 UNK 0.0410 9 C8 5.4230 1.6207 5.9947 C.ar 1 UNK -0.0431 10 C9 5.4750 1.1329 4.7025 C.ar 1 UNK -0.0564 11 Cl 4.1406 2.3380 8.2688 Cl 1 UNK -0.0835 12 C10 3.7994 -1.1550 2.6042 C.2 1 UNK 0.3164 13 O 3.3908 -1.6696 3.6181 O.2 1 UNK -0.2501 14 O1 3.7478 -1.8262 1.4429 O.3 1 UNK -0.4410 15 C11 3.1886 -3.1657 1.4800 C.3 1 UNK 0.2129 16 C12 1.7366 -3.0978 1.2478 C.1 1 UNK 0.1123 17 N 0.6161 -3.0455 1.0685 N.1 1 UNK -0.1923 18 C13 3.8301 -4.0078 0.4074 C.ar 1 UNK 0.0103 19 C14 4.1890 -3.4344 -0.7988 C.ar 1 UNK -0.0538 20 C15 4.7781 -4.2039 -1.7847 C.ar 1 UNK -0.0579 21 C16 5.0093 -5.5486 -1.5673 C.ar 1 UNK -0.0193 22 C17 4.6502 -6.1263 -0.3581 C.ar 1 UNK 0.1288 23 C18 4.0643 -5.3503 0.6320 C.ar 1 UNK -0.0116 24 O2 4.8765 -7.4486 -0.1418 O.3 1 UNK -0.4560 25 C19 4.4116 -7.9949 1.0123 C.ar 1 UNK 0.1284 26 C20 3.1273 -8.5173 1.0659 C.ar 1 UNK -0.0193 27 C21 2.6571 -9.0721 2.2404 C.ar 1 UNK -0.0583 28 C22 3.4650 -9.1067 3.3620 C.ar 1 UNK -0.0615 29 C23 4.7451 -8.5864 3.3114 C.ar 1 UNK -0.0583 30 C24 5.2225 -8.0365 2.1375 C.ar 1 UNK -0.0193 31 H 3.5496 3.2035 1.1250 H 1 UNK 0.0233 32 H1 5.1398 2.5482 1.4332 H 1 UNK 0.0233 33 H2 4.0828 2.9407 2.7681 H 1 UNK 0.0233 34 H3 2.5302 1.1694 2.0595 H 1 UNK 0.0306 35 H4 4.6212 0.5974 -0.0391 H 1 UNK 0.0233 36 H5 3.0310 1.2527 -0.3473 H 1 UNK 0.0233 37 H6 3.2016 -0.3744 0.2661 H 1 UNK 0.0233 38 H7 5.3836 0.2215 2.3103 H 1 UNK 0.0465 39 H8 2.2251 0.5995 4.2192 H 1 UNK 0.0621 40 H9 2.1333 1.4419 6.4798 H 1 UNK 0.0632 41 H10 6.2917 1.9021 6.4755 H 1 UNK 0.0632 42 H11 6.3835 1.0422 4.2214 H 1 UNK 0.0621 43 H12 3.3765 -3.6043 2.4377 H 1 UNK 0.0948 44 H13 4.0167 -2.4303 -0.9632 H 1 UNK 0.0622 45 H14 5.0454 -3.7736 -2.6838 H 1 UNK 0.0619 46 H15 5.4487 -6.1228 -2.3037 H 1 UNK 0.0654 47 H16 3.8038 -5.7759 1.5353 H 1 UNK 0.0658 48 H17 2.5239 -8.4914 0.2291 H 1 UNK 0.0654 49 H18 1.7021 -9.4611 2.2807 H 1 UNK 0.0619 50 H19 3.1119 -9.5216 4.2385 H 1 UNK 0.0618 51 H20 5.3444 -8.6089 4.1513 H 1 UNK 0.0619 52 H21 6.1813 -7.6570 2.0974 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