@MOLECULE ZINC000000597013 57 60 0 0 0 SMALL USER_CHARGES NO_NAME @ATOM 1 C1 -6.6855 2.6485 -5.0274 C.3 1 <0> 0.0200 2 O2 -5.5594 3.0136 -4.2270 O.3 1 <0> -0.3000 3 C3 -5.3132 2.2564 -3.1276 C.ar 1 <0> 0.1400 4 C4 -6.1359 1.1797 -2.8287 C.ar 1 <0> -0.1800 5 C5 -5.8930 0.4047 -1.7125 C.ar 1 <0> -0.0400 6 C6 -4.8146 0.7011 -0.8767 C.ar 1 <0> -0.1900 7 C7 -3.9823 1.7924 -1.1828 C.ar 1 <0> -0.1100 8 C8 -4.2296 2.5575 -2.3019 C.ar 1 <0> 0.0800 9 O9 -3.4233 3.6125 -2.5960 O.3 1 <0> -0.3000 10 C10 -2.3391 3.8696 -1.7013 C.3 1 <0> 0.0200 11 C11 -4.7487 -0.2497 0.2417 C.2 1 <0> 0.4100 12 O12 -3.9227 -0.2473 1.1299 O.2 1 <0> -0.4400 13 C13 -5.8870 -1.2297 0.0940 C.3 1 <0> -0.1400 14 H14 -5.5010 -2.2430 -0.0174 H 1 <0> 0.1200 15 C15 -6.8174 -1.1480 1.3058 C.3 1 <0> -0.1000 16 C16 -7.8831 -2.2412 1.2053 C.3 1 <0> -0.0900 17 C17 -7.2195 -3.6156 1.3283 C.3 1 <0> -0.1100 18 C18 -8.2965 -4.7021 1.2881 C.3 1 <0> 0.0600 19 N19 -9.2435 -4.4954 2.3913 N.3 1 <0> -0.5300 20 C20 -10.2113 -5.5979 2.4678 C.3 1 <0> 0.0900 21 C21 -11.3058 -5.2389 3.4395 C.ar 1 <0> -0.0800 22 C22 -11.1751 -5.5606 4.7775 C.ar 1 <0> -0.1000 23 C23 -12.1790 -5.2313 5.6689 C.ar 1 <0> -0.1200 24 C24 -13.3135 -4.5799 5.2223 C.ar 1 <0> -0.1200 25 C25 -13.4439 -4.2574 3.8844 C.ar 1 <0> -0.1200 26 C26 -12.4380 -4.5829 2.9938 C.ar 1 <0> -0.1100 27 C27 -9.9278 -3.2020 2.2683 C.3 1 <0> 0.0500 28 C28 -8.8995 -2.0707 2.3378 C.3 1 <0> -0.1100 29 C29 -6.6297 -0.8008 -1.1789 C.3 1 <0> -0.0800 30 H30 -6.7684 3.3328 -5.8717 H 1 <0> 0.1100 31 H31 -6.5547 1.6310 -5.3959 H 1 <0> 0.0600 32 H32 -7.5924 2.7029 -4.4251 H 1 <0> 0.0600 33 H33 -6.9712 0.9470 -3.4726 H 1 <0> 0.1400 34 H34 -3.1461 2.0292 -0.5416 H 1 <0> 0.1400 35 H35 -1.6827 3.0000 -1.6665 H 1 <0> 0.0600 36 H36 -1.7769 4.7354 -2.0511 H 1 <0> 0.1000 37 H37 -2.7307 4.0694 -0.7039 H 1 <0> 0.0600 38 H38 -6.2383 -1.2880 2.2186 H 1 <0> 0.0800 39 H39 -7.3001 -0.1709 1.3281 H 1 <0> 0.0700 40 H40 -8.3923 -2.1661 0.2445 H 1 <0> 0.0700 41 H41 -6.5257 -3.7601 0.5001 H 1 <0> 0.0700 42 H42 -6.6777 -3.6749 2.2722 H 1 <0> 0.0700 43 H43 -8.8287 -4.6510 0.3382 H 1 <0> 0.0300 44 H44 -7.8286 -5.6812 1.3898 H 1 <0> 0.0800 45 H45 -10.6430 -5.7714 1.4821 H 1 <0> 0.0400 46 H46 -9.7060 -6.5020 2.8074 H 1 <0> 0.0800 47 H47 -10.2887 -6.0695 5.1265 H 1 <0> 0.1200 48 H48 -12.0772 -5.4833 6.7141 H 1 <0> 0.1200 49 H49 -14.0982 -4.3233 5.9186 H 1 <0> 0.1200 50 H50 -14.3304 -3.7488 3.5355 H 1 <0> 0.1200 51 H51 -12.5398 -4.3309 1.9486 H 1 <0> 0.1200 52 H52 -10.4523 -3.1579 1.3139 H 1 <0> 0.0300 53 H53 -10.6446 -3.0916 3.0820 H 1 <0> 0.0800 54 H54 -8.3841 -2.1057 3.2976 H 1 <0> 0.0700 55 H55 -9.4060 -1.1114 2.2308 H 1 <0> 0.0700 56 H56 -7.6594 -0.5350 -0.9401 H 1 <0> 0.1000 57 H57 -6.6109 -1.6064 -1.9129 H 1 <0> 0.0900 @BOND 1 1 2 1 2 1 30 1 3 1 31 1 4 1 32 1 5 2 3 1 6 3 8 ar 7 3 4 ar 8 4 5 ar 9 4 33 1 10 5 29 1 11 5 6 ar 12 6 7 ar 13 6 11 1 14 7 8 ar 15 7 34 1 16 8 9 1 17 9 10 1 18 10 35 1 19 10 36 1 20 10 37 1 21 11 12 2 22 11 13 1 23 13 14 1 24 13 15 1 25 13 29 1 26 15 16 1 27 15 38 1 28 15 39 1 29 16 28 1 30 16 17 1 31 16 40 1 32 17 18 1 33 17 41 1 34 17 42 1 35 18 19 1 36 18 43 1 37 18 44 1 38 19 20 1 39 19 27 1 40 20 21 1 41 20 45 1 42 20 46 1 43 21 26 ar 44 21 22 ar 45 22 23 ar 46 22 47 1 47 23 24 ar 48 23 48 1 49 24 25 ar 50 24 49 1 51 25 26 ar 52 25 50 1 53 26 51 1 54 27 28 1 55 27 52 1 56 27 53 1 57 28 54 1 58 28 55 1 59 29 56 1 60 29 57 1