@MOLECULE FDBD03106 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0178 1.4648 0.0101 C.3 1 UNK 0.0048 2 N 0.0021 -0.0041 0.0020 N.3 1 UNK -0.2345 3 C1 0.7062 -0.5275 1.1802 C.3 1 UNK 0.0048 4 N1 -1.2642 -0.5104 -0.0766 N.am 1 UNK -0.2660 5 C2 -1.6367 -1.2296 -1.1538 C.2 1 UNK 0.1313 6 S -3.2237 -1.8641 -1.2523 S.2 1 UNK -0.0261 7 S1 -0.5230 -1.5085 -2.4237 S.3 1 UNK -0.0261 8 S2 -1.6998 -2.6259 -3.6926 S.3 1 UNK -0.0261 9 C3 -2.4965 -1.3708 -4.5416 C.2 1 UNK 0.1313 10 S3 -2.1565 0.2650 -4.1684 S.2 1 UNK -0.0261 11 N2 -3.3914 -1.6706 -5.5038 N.am 1 UNK -0.2660 12 N3 -3.6627 -2.9758 -5.8015 N.3 1 UNK -0.2345 13 C4 -5.0834 -3.2807 -5.5857 C.3 1 UNK 0.0048 14 C5 -3.2584 -3.2971 -7.1768 C.3 1 UNK 0.0048 15 H 1.0047 1.8421 0.0024 H 1 UNK 0.0407 16 H1 -0.5450 1.8259 -0.8730 H 1 UNK 0.0407 17 H2 -0.5280 1.8163 0.9069 H 1 UNK 0.0407 18 H3 0.1617 -0.2488 2.0824 H 1 UNK 0.0407 19 H4 0.7676 -1.6137 1.1140 H 1 UNK 0.0407 20 H5 1.7116 -0.1084 1.2186 H 1 UNK 0.0407 21 H6 -1.8952 -0.3523 0.6430 H 1 UNK 0.1675 22 H7 -3.8429 -0.9594 -5.9848 H 1 UNK 0.1675 23 H8 -5.6932 -2.6424 -6.2250 H 1 UNK 0.0407 24 H9 -5.2719 -4.3261 -5.8302 H 1 UNK 0.0407 25 H10 -5.3393 -3.1000 -4.5417 H 1 UNK 0.0407 26 H11 -2.1874 -3.1282 -7.2894 H 1 UNK 0.0407 27 H12 -3.4855 -4.3421 -7.3876 H 1 UNK 0.0407 28 H13 -3.8021 -2.6593 -7.8737 H 1 UNK 0.0407 @BOND 1 1 2 1 2 1 15 1 3 1 16 1 4 1 17 1 5 2 3 1 6 2 4 1 7 3 18 1 8 3 19 1 9 3 20 1 10 4 5 1 11 4 21 1 12 5 6 2 13 5 7 1 14 7 8 1 15 8 9 1 16 9 10 2 17 9 11 1 18 11 12 1 19 11 22 1 20 12 13 1 21 12 14 1 22 13 23 1 23 13 24 1 24 13 25 1 25 14 26 1 26 14 27 1 27 14 28 1