@MOLECULE FDBD02960 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0184 1.5028 0.0103 C.3 1 UNK -0.0063 2 C1 0.0021 -0.0041 0.0020 C.ar 1 UNK 0.1029 3 C2 -1.0805 -0.7968 0.0027 C.ar 1 UNK -0.0085 4 C3 -0.5714 -2.1760 -0.0080 C.ar 1 UNK 0.0797 5 C4 0.7883 -2.0655 -0.0142 C.ar 1 UNK 0.1143 6 C5 1.7659 -3.2123 -0.0259 C.3 1 UNK -0.0056 7 O 1.1060 -0.7673 -0.0131 O.2 1 UNK -0.4644 8 C6 -1.3643 -3.4183 -0.0115 C.2 1 UNK 0.2728 9 O1 -0.8036 -4.4975 -0.0203 O.2 1 UNK -0.2677 10 N -2.7107 -3.3585 -0.0049 N.am 1 UNK -0.1740 11 C7 -3.4988 -4.5934 -0.0083 C.3 1 UNK 0.0534 12 C8 -3.1710 -5.4042 -1.2637 C.3 1 UNK -0.0319 13 C9 -3.9942 -6.6939 -1.2673 C.3 1 UNK -0.0513 14 C10 -3.6548 -7.5189 -0.0243 C.3 1 UNK -0.0529 15 C11 -3.9826 -6.7082 1.2311 C.3 1 UNK -0.0513 16 C12 -3.1595 -5.4184 1.2347 C.3 1 UNK -0.0319 17 O2 -3.3635 -2.1020 0.0053 O.3 1 UNK -0.2799 18 C13 -3.6375 -1.5787 -1.2959 C.3 1 UNK 0.0624 19 H 0.9855 1.8732 0.0077 H 1 UNK 0.0308 20 H1 -0.5236 1.8478 0.8882 H 1 UNK 0.0308 21 H2 -0.5317 1.8573 -0.8591 H 1 UNK 0.0308 22 H3 -2.0686 -0.4992 0.0094 H 1 UNK 0.0659 23 H4 1.2296 -4.1382 -0.0240 H 1 UNK 0.0308 24 H5 2.3886 -3.1591 0.8426 H 1 UNK 0.0308 25 H6 2.3737 -3.1539 -0.9046 H 1 UNK 0.0308 26 H7 -4.5410 -4.3513 -0.0021 H 1 UNK 0.0525 27 H8 -2.1288 -5.6463 -1.2699 H 1 UNK 0.0284 28 H9 -3.4083 -4.8272 -2.1330 H 1 UNK 0.0284 29 H10 -3.7650 -7.2609 -2.1453 H 1 UNK 0.0266 30 H11 -5.0364 -6.4519 -1.2611 H 1 UNK 0.0266 31 H12 -2.6125 -7.7609 -0.0305 H 1 UNK 0.0265 32 H13 -4.2305 -8.4209 -0.0268 H 1 UNK 0.0265 33 H14 -3.7452 -7.2852 2.1004 H 1 UNK 0.0266 34 H15 -5.0249 -6.4662 1.2373 H 1 UNK 0.0266 35 H16 -3.3888 -4.8514 2.1126 H 1 UNK 0.0284 36 H17 -2.1172 -5.6604 1.2286 H 1 UNK 0.0284 37 H18 -4.1289 -0.6327 -1.2037 H 1 UNK 0.0547 38 H19 -4.2697 -2.2586 -1.8279 H 1 UNK 0.0547 39 H20 -2.7191 -1.4530 -1.8304 H 1 UNK 0.0547 @BOND 1 1 2 1 2 2 7 ar 3 2 3 ar 4 3 4 ar 5 4 5 ar 6 4 8 1 7 5 6 1 8 5 7 ar 9 8 9 2 10 8 10 am 11 10 11 1 12 10 17 1 13 11 16 1 14 11 12 1 15 12 13 1 16 13 14 1 17 14 15 1 18 15 16 1 19 17 18 1 20 1 19 1 21 1 20 1 22 1 21 1 23 3 22 1 24 6 23 1 25 6 24 1 26 6 25 1 27 11 26 1 28 12 27 1 29 12 28 1 30 13 29 1 31 13 30 1 32 14 31 1 33 14 32 1 34 15 33 1 35 15 34 1 36 16 35 1 37 16 36 1 38 18 37 1 39 18 38 1 40 18 39 1