@MOLECULE FDBD02979 61 63 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0653 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0556 3 C2 0.7182 -0.4975 -1.2568 C.3 1 UNK -0.0489 4 C3 0.7390 -2.0273 -1.2652 C.3 1 UNK -0.0151 5 C4 1.4443 -2.5133 -2.5051 C.2 1 UNK 0.0978 6 C5 0.7405 -2.7383 -3.6450 C.2 1 UNK -0.0192 7 C6 -0.7480 -2.5082 -3.6937 C.3 1 UNK -0.0382 8 C7 1.4676 -3.2101 -4.8253 C.ar 1 UNK 0.0743 9 C8 0.8009 -3.4601 -6.0303 C.ar 1 UNK -0.0422 10 C9 1.5028 -3.8989 -7.1152 C.ar 1 UNK -0.0188 11 C10 2.8793 -4.1002 -7.0312 C.ar 1 UNK 0.1297 12 C11 3.5550 -3.8583 -5.8465 C.ar 1 UNK 0.0763 13 C12 2.8575 -3.4111 -4.7345 C.ar 1 UNK 0.2776 14 O 3.4971 -3.1687 -3.5703 O.3 1 UNK -0.5178 15 C13 2.8375 -2.7302 -2.4867 C.2 1 UNK 0.4847 16 O1 3.4564 -2.5247 -1.4580 O.2 1 UNK -0.1907 17 O2 3.5634 -4.5375 -8.1191 O.3 1 UNK -0.4871 18 C14 2.8085 -4.7689 -9.3102 C.3 1 UNK 0.1152 19 C15 3.7291 -5.2466 -10.4035 C.ar 1 UNK -0.0025 20 C16 5.0779 -5.4001 -10.1538 C.ar 1 UNK -0.0548 21 C17 5.9239 -5.8389 -11.1561 C.ar 1 UNK -0.0614 22 C18 5.4242 -6.1265 -12.4138 C.ar 1 UNK -0.0612 23 C19 4.0777 -5.9764 -12.6750 C.ar 1 UNK -0.0535 24 C20 3.2193 -5.5399 -11.6670 C.ar 1 UNK -0.0067 25 C21 1.7710 -5.3771 -11.9414 C.2 1 UNK 0.0382 26 C22 0.9724 -6.4694 -12.0413 C.2 1 UNK 0.0937 27 O3 1.4951 -7.7018 -11.8912 O.2 1 UNK -0.5019 28 C23 0.5818 -8.8242 -12.0110 C.3 1 UNK 0.0780 29 C24 1.2021 -4.0357 -12.1047 C.2 1 UNK 0.0272 30 O4 0.0144 -3.9022 -12.3297 O.co2 1 UNK -0.8003 31 O5 1.9959 -2.9499 -12.0054 O.2 1 UNK -0.5147 32 C25 1.3646 -1.6538 -12.1783 C.3 1 UNK 0.0766 33 H -0.5195 1.8709 0.8908 H 1 UNK 0.0230 34 H1 -0.5363 1.8802 -0.8564 H 1 UNK 0.0230 35 H2 0.9851 1.8962 0.0028 H 1 UNK 0.0230 36 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0263 37 H4 0.5197 -0.3585 0.8688 H 1 UNK 0.0263 38 H5 1.7220 -0.1271 -1.2644 H 1 UNK 0.0268 39 H6 0.2006 -0.1431 -2.1236 H 1 UNK 0.0268 40 H7 -0.2648 -2.3977 -1.2575 H 1 UNK 0.0317 41 H8 1.2566 -2.3817 -0.3984 H 1 UNK 0.0317 42 H9 -1.0876 -2.1671 -2.7381 H 1 UNK 0.0278 43 H10 -1.2425 -3.4240 -3.9420 H 1 UNK 0.0278 44 H11 -0.9707 -1.7701 -4.4356 H 1 UNK 0.0278 45 H12 -0.2183 -3.3130 -6.0981 H 1 UNK 0.0628 46 H13 1.0111 -4.0829 -8.0037 H 1 UNK 0.0654 47 H14 4.5743 -4.0104 -5.7916 H 1 UNK 0.0746 48 H15 4.4219 -3.3097 -3.5177 H 1 UNK 0.5656 49 H16 2.3350 -3.8590 -9.6148 H 1 UNK 0.0748 50 H17 2.0631 -5.5129 -9.1212 H 1 UNK 0.0748 51 H18 5.4558 -5.1870 -9.2174 H 1 UNK 0.0622 52 H19 6.9317 -5.9522 -10.9651 H 1 UNK 0.0618 53 H20 6.0598 -6.4539 -13.1580 H 1 UNK 0.0618 54 H21 3.7068 -6.1869 -13.6148 H 1 UNK 0.0624 55 H22 -0.0354 -6.3561 -12.2323 H 1 UNK 0.1030 56 H23 1.1201 -9.7384 -11.8719 H 1 UNK 0.0660 57 H24 0.1346 -8.8180 -12.9831 H 1 UNK 0.0660 58 H25 -0.1823 -8.7433 -11.2664 H 1 UNK 0.0660 59 H26 2.0994 -0.8827 -12.0762 H 1 UNK 0.0659 60 H27 0.6062 -1.5245 -11.4347 H 1 UNK 0.0659 61 H28 0.9230 -1.5991 -13.1514 H 1 UNK 0.0659 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 15 1 6 5 6 2 7 6 7 1 8 6 8 1 9 8 13 ar 10 8 9 ar 11 9 10 ar 12 10 11 ar 13 11 12 ar 14 11 17 1 15 12 13 ar 16 13 14 1 17 14 15 1 18 15 16 2 19 17 18 1 20 18 19 1 21 19 24 ar 22 19 20 ar 23 20 21 ar 24 21 22 ar 25 22 23 ar 26 23 24 ar 27 24 25 1 28 25 26 0 29 25 29 2 30 26 27 2 31 27 28 1 32 29 30 0 33 29 31 1 34 31 32 1 35 1 33 1 36 1 34 1 37 1 35 1 38 2 36 1 39 2 37 1 40 3 38 1 41 3 39 1 42 4 40 1 43 4 41 1 44 7 42 1 45 7 43 1 46 7 44 1 47 9 45 1 48 10 46 1 49 12 47 1 50 14 48 1 51 18 49 1 52 18 50 1 53 20 51 1 54 21 52 1 55 22 53 1 56 23 54 1 57 26 55 1 58 28 56 1 59 28 57 1 60 28 58 1 61 32 59 1 62 32 60 1 63 32 61 1