@MOLECULE FDBD02981 43 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0176 1.4478 0.0100 C.3 1 UNK 0.0780 2 O 0.0021 -0.0041 0.0020 O.2 1 UNK -0.5019 3 C1 0.6004 -0.6018 -1.0463 C.2 1 UNK 0.0937 4 C2 0.6537 -1.9558 -1.1156 C.2 1 UNK 0.0382 5 C3 0.0532 -2.7777 -0.0371 C.ar 1 UNK -0.0067 6 C4 -1.3311 -2.9209 0.0450 C.ar 1 UNK -0.0535 7 C5 -1.8843 -3.6872 1.0503 C.ar 1 UNK -0.0612 8 C6 -1.0680 -4.3128 1.9758 C.ar 1 UNK -0.0614 9 C7 0.3060 -4.1741 1.8993 C.ar 1 UNK -0.0548 10 C8 0.8707 -3.4143 0.8948 C.ar 1 UNK -0.0025 11 C9 2.3680 -3.2647 0.8124 C.3 1 UNK 0.1153 12 O1 2.9792 -3.9968 1.8765 O.3 1 UNK -0.4859 13 C10 4.3363 -3.9661 1.9470 C.ar 1 UNK 0.1392 14 C11 5.0641 -3.2415 1.0146 C.ar 1 UNK -0.0179 15 C12 6.4433 -3.2113 1.0885 C.ar 1 UNK -0.0466 16 C13 7.0990 -3.9029 2.0904 C.ar 1 UNK 0.0564 17 C14 6.3767 -4.6264 3.0210 C.ar 1 UNK -0.0282 18 C15 4.9960 -4.6550 2.9554 C.ar 1 UNK 0.0831 19 Cl 4.0892 -5.5636 4.1241 Cl 1 UNK -0.0797 20 C16 8.6036 -3.8682 2.1678 C.3 1 UNK 0.4175 21 F 9.0047 -2.7933 2.9684 F 1 UNK -0.1659 22 F1 9.0696 -5.0639 2.7247 F 1 UNK -0.1659 23 F2 9.1333 -3.7151 0.8820 F 1 UNK -0.1659 24 C17 1.3051 -2.6063 -2.2568 C.2 1 UNK 0.0272 25 O2 1.7975 -1.9324 -3.1412 O.co2 1 UNK -0.8003 26 O3 1.3580 -3.9522 -2.3256 O.2 1 UNK -0.5147 27 C18 2.0182 -4.5275 -3.4838 C.3 1 UNK 0.0766 28 H -0.5184 1.7929 0.8904 H 1 UNK 0.0660 29 H1 -0.5351 1.8023 -0.8568 H 1 UNK 0.0660 30 H2 0.9862 1.8182 0.0024 H 1 UNK 0.0660 31 H3 1.0183 -0.0299 -1.7968 H 1 UNK 0.1030 32 H4 -1.9409 -2.4547 -0.6448 H 1 UNK 0.0624 33 H5 -2.9089 -3.7939 1.1120 H 1 UNK 0.0618 34 H6 -1.4859 -4.8851 2.7260 H 1 UNK 0.0618 35 H7 0.9101 -4.6396 2.5946 H 1 UNK 0.0622 36 H8 2.6282 -2.2302 0.8958 H 1 UNK 0.0748 37 H9 2.7133 -3.6448 -0.1263 H 1 UNK 0.0748 38 H10 4.5757 -2.7253 0.2662 H 1 UNK 0.0655 39 H11 6.9849 -2.6719 0.3951 H 1 UNK 0.0624 40 H12 6.8684 -5.1455 3.7651 H 1 UNK 0.0639 41 H13 1.9911 -5.5950 -3.4161 H 1 UNK 0.0659 42 H14 3.0357 -4.1978 -3.5147 H 1 UNK 0.0659 43 H15 1.5143 -4.2137 -4.3740 H 1 UNK 0.0659 @BOND 1 1 2 1 2 2 3 2 3 3 4 0 4 4 5 1 5 4 24 2 6 5 10 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 9 10 ar 12 10 11 1 13 11 12 1 14 12 13 1 15 13 18 ar 16 13 14 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 16 20 1 21 17 18 ar 22 18 19 1 23 20 21 1 24 20 22 1 25 20 23 1 26 24 25 0 27 24 26 1 28 26 27 1 29 1 28 1 30 1 29 1 31 1 30 1 32 3 31 1 33 6 32 1 34 7 33 1 35 8 34 1 36 9 35 1 37 11 36 1 38 11 37 1 39 14 38 1 40 15 39 1 41 17 40 1 42 27 41 1 43 27 42 1 44 27 43 1