@MOLECULE FDBD02326 44 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2956 1.0309 0.3974 C.3 1 UNK -0.0379 2 C1 0.2349 -0.4727 0.3173 C.ar 1 UNK -0.0288 3 C2 0.0414 -1.0926 -0.9019 C.ar 1 UNK -0.0510 4 C3 -0.0145 -2.4719 -0.9769 C.ar 1 UNK -0.0075 5 C4 -0.2257 -3.1447 -2.3088 C.3 1 UNK 0.0974 6 C5 -1.5053 -2.7008 -2.8853 C.1 1 UNK 0.0753 7 N -2.4928 -2.3583 -3.3302 N.1 1 UNK -0.1956 8 C6 0.8997 -2.7772 -3.2412 C.ar 1 UNK -0.0261 9 C7 0.9514 -1.5125 -3.7971 C.ar 1 UNK -0.0556 10 C8 1.9833 -1.1748 -4.6523 C.ar 1 UNK -0.0431 11 C9 2.9647 -2.1029 -4.9521 C.ar 1 UNK 0.0410 12 C10 2.9124 -3.3684 -4.3955 C.ar 1 UNK -0.0431 13 C11 1.8831 -3.7030 -3.5360 C.ar 1 UNK -0.0556 14 Cl 4.2608 -1.6797 -6.0267 Cl 1 UNK -0.0835 15 C12 0.1235 -3.2362 0.1689 C.ar 1 UNK 0.0475 16 C13 0.3172 -2.6217 1.3915 C.ar 1 UNK -0.0215 17 C14 0.3790 -1.2363 1.4683 C.ar 1 UNK 0.0380 18 N1 0.5754 -0.6111 2.7038 N.am 1 UNK -0.2811 19 C15 0.0524 -1.1505 3.8227 C.2 1 UNK 0.2519 20 O -0.5143 -2.2252 3.7720 O.2 1 UNK -0.2697 21 C16 0.1675 -0.4372 5.1087 C.ar 1 UNK 0.0803 22 C17 0.8129 0.8005 5.1703 C.ar 1 UNK -0.0329 23 C18 0.9172 1.4621 6.3750 C.ar 1 UNK 0.0153 24 C19 0.3845 0.9050 7.5269 C.ar 1 UNK -0.0319 25 C20 -0.2554 -0.3178 7.4799 C.ar 1 UNK 0.0565 26 C21 -0.3749 -0.9945 6.2744 C.ar 1 UNK 0.1421 27 O1 -1.0037 -2.1957 6.2267 O.3 1 UNK -0.5050 28 I -1.0546 -1.1483 9.2294 I 1 UNK -0.0400 29 I1 1.8858 3.3175 6.4655 I 1 UNK -0.0438 30 Cl1 0.0526 -4.9680 0.0701 Cl 1 UNK -0.0831 31 H 0.4497 1.3280 1.4137 H 1 UNK 0.0278 32 H1 -0.6244 1.4445 0.0405 H 1 UNK 0.0278 33 H2 1.1046 1.3878 -0.2051 H 1 UNK 0.0278 34 H3 -0.0616 -0.5254 -1.7579 H 1 UNK 0.0624 35 H4 -0.2446 -4.2059 -2.1734 H 1 UNK 0.0553 36 H5 0.2193 -0.8204 -3.5735 H 1 UNK 0.0621 37 H6 2.0218 -0.2306 -5.0671 H 1 UNK 0.0632 38 H7 3.6418 -4.0624 -4.6221 H 1 UNK 0.0632 39 H8 1.8486 -4.6442 -3.1142 H 1 UNK 0.0621 40 H9 0.4158 -3.1915 2.2463 H 1 UNK 0.0651 41 H10 1.0957 0.2230 2.7562 H 1 UNK 0.1551 42 H11 1.2110 1.2188 4.3150 H 1 UNK 0.0637 43 H12 0.4665 1.4069 8.4249 H 1 UNK 0.0639 44 H13 -1.0832 -2.6508 5.4115 H 1 UNK 0.2922 @BOND 1 1 2 1 2 2 17 ar 3 2 3 ar 4 3 4 ar 5 4 5 1 6 4 15 ar 7 5 6 1 8 5 8 1 9 6 7 3 10 8 13 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 11 14 1 16 12 13 ar 17 15 16 ar 18 15 30 1 19 16 17 ar 20 17 18 1 21 18 19 am 22 19 20 2 23 19 21 1 24 21 26 ar 25 21 22 ar 26 22 23 ar 27 23 24 ar 28 23 29 1 29 24 25 ar 30 25 26 ar 31 25 28 1 32 26 27 1 33 1 31 1 34 1 32 1 35 1 33 1 36 3 34 1 37 5 35 1 38 9 36 1 39 10 37 1 40 12 38 1 41 13 39 1 42 16 40 1 43 18 41 1 44 22 42 1 45 24 43 1 46 27 44 1