@MOLECULE FDBD01864 50 56 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0599 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0124 3 C2 -1.4333 -0.5336 0.0129 C.3 1 UNK -0.0599 4 C3 0.7182 -0.4975 -1.2568 C.3 1 UNK 0.1294 5 C4 0.9003 -2.0093 -1.3529 C.3 1 UNK 0.1201 6 C5 2.0692 -2.5847 -2.1557 C.3 1 UNK 0.1208 7 C6 2.9427 -1.6154 -2.9566 C.3 1 UNK 0.1381 8 C7 3.4691 -2.1406 -4.2982 C.3 1 UNK 0.0094 9 C8 4.7655 -1.4147 -4.6631 C.3 1 UNK -0.0562 10 C9 3.7120 -3.6472 -4.2064 C.3 1 UNK -0.0400 11 C10 4.4015 -4.1350 -5.4859 C.3 1 UNK -0.0202 12 C11 3.6386 -3.6074 -6.6785 C.2 1 UNK 0.0393 13 C12 2.7601 -2.6035 -6.6154 C.2 1 UNK -0.0189 14 C13 2.2275 -2.3872 -8.0058 C.3 1 UNK 0.1149 15 O 2.8965 -3.3714 -8.8463 O.3 1 UNK -0.4569 16 C14 3.7248 -4.0852 -8.0588 C.2 1 UNK 0.3355 17 O1 4.4387 -4.9922 -8.4392 O.2 1 UNK -0.2453 18 C15 2.4019 -1.8569 -5.3607 C.3 1 UNK -0.0053 19 C16 2.3073 -0.3653 -5.6244 C.3 1 UNK -0.0164 20 C17 2.1640 0.4470 -4.3438 C.3 1 UNK 0.0946 21 C18 2.5148 -0.1488 -2.9967 C.3 1 UNK 0.1560 22 C19 1.8642 0.3841 -1.7159 C.3 1 UNK 0.1210 23 O2 2.8461 0.4301 -0.6787 O.3 1 UNK -0.3858 24 O3 3.3912 0.7590 -3.6671 O.3 1 UNK -0.3589 25 O4 3.3892 -2.2315 -1.7254 O.3 1 UNK -0.3582 26 O5 -0.0484 -1.2946 -2.1299 O.3 1 UNK -0.3589 27 H -0.5195 1.8709 0.8908 H 1 UNK 0.0233 28 H1 -0.5363 1.8802 -0.8564 H 1 UNK 0.0233 29 H2 0.9851 1.8962 0.0028 H 1 UNK 0.0233 30 H3 0.5197 -0.3586 0.8688 H 1 UNK 0.0325 31 H4 -1.9508 -0.1791 -0.8539 H 1 UNK 0.0233 32 H5 -1.9341 -0.1885 0.8933 H 1 UNK 0.0233 33 H6 -1.4189 -1.6035 0.0070 H 1 UNK 0.0233 34 H7 0.9173 -2.8036 -0.6362 H 1 UNK 0.0653 35 H8 1.5437 -3.4909 -2.3735 H 1 UNK 0.0653 36 H9 4.5803 -0.3626 -4.7237 H 1 UNK 0.0236 37 H10 5.1190 -1.7696 -5.6086 H 1 UNK 0.0236 38 H11 5.5039 -1.6042 -3.9122 H 1 UNK 0.0236 39 H12 2.7759 -4.1526 -4.0913 H 1 UNK 0.0275 40 H13 4.3373 -3.8560 -3.3636 H 1 UNK 0.0275 41 H14 4.4070 -5.2048 -5.5065 H 1 UNK 0.0316 42 H15 5.4111 -3.7816 -5.5135 H 1 UNK 0.0316 43 H16 2.4531 -1.3964 -8.3410 H 1 UNK 0.0746 44 H17 1.1638 -2.4980 -8.0411 H 1 UNK 0.0746 45 H18 1.4447 -2.1872 -5.0150 H 1 UNK 0.0354 46 H19 1.4555 -0.1802 -6.2450 H 1 UNK 0.0297 47 H20 3.2158 -0.0618 -6.1012 H 1 UNK 0.0297 48 H21 1.3060 0.9626 -4.7219 H 1 UNK 0.0627 49 H22 1.4767 1.3593 -1.9253 H 1 UNK 0.0654 50 H23 3.1798 -0.4648 -0.5094 H 1 UNK 0.2100 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 22 1 5 4 26 1 6 4 5 1 7 5 6 1 8 5 26 1 9 6 25 1 10 6 7 1 11 7 21 1 12 7 8 1 13 7 25 1 14 8 18 1 15 8 9 1 16 8 10 1 17 10 11 1 18 11 12 1 19 12 16 1 20 12 13 2 21 13 14 1 22 13 18 1 23 14 15 1 24 15 16 1 25 16 17 2 26 18 19 1 27 19 20 1 28 20 24 1 29 20 21 1 30 21 22 1 31 21 24 1 32 22 23 1 33 1 27 1 34 1 28 1 35 1 29 1 36 2 30 1 37 3 31 1 38 3 32 1 39 3 33 1 40 5 34 1 41 6 35 1 42 9 36 1 43 9 37 1 44 9 38 1 45 10 39 1 46 10 40 1 47 11 41 1 48 11 42 1 49 14 43 1 50 14 44 1 51 18 45 1 52 19 46 1 53 19 47 1 54 20 48 1 55 22 49 1 56 23 50 1