@MOLECULE **** 57 59 1 0 0 SMALL USER_CHARGES @ATOM 1 C 1.3221 -0.9588 4.7859 C.3 1 **** 0.0000 2 C 2.0185 -1.3938 3.5032 C.3 1 **** 0.0000 3 C 1.2003 -0.9720 2.3226 C.2 1 **** 0.0000 4 C 1.6207 -1.2500 1.0843 C.2 1 **** 0.0000 5 C 2.7718 -1.9047 0.9003 C.ar 1 **** 0.0000 6 C 3.5342 -2.2976 2.0002 C.ar 1 **** 0.0000 7 C 4.7352 -2.9805 1.8082 C.ar 1 **** 0.0000 8 C 5.1737 -3.2705 0.5163 C.ar 1 **** 0.0000 9 C 4.4114 -2.8777 -0.5837 C.ar 1 **** 0.0000 10 C 3.2104 -2.1947 -0.3917 C.ar 1 **** 0.0000 11 C 0.8899 -0.8734 0.0299 C.ar 1 **** 0.0000 12 C 0.5111 -1.8140 -0.9279 C.ar 1 **** 0.0000 13 C -0.2512 -1.4210 -2.0279 C.ar 1 **** 0.0000 14 C -0.6347 -0.0875 -2.1700 C.ar 1 **** 0.0000 15 C -0.2560 0.8531 -1.2123 C.ar 1 **** 0.0000 16 C 0.5064 0.4601 -0.1122 C.ar 1 **** 0.0000 17 O -1.3752 0.2943 -3.2387 O.3 1 **** 0.0000 18 C -1.6499 1.6682 -3.1888 C.3 1 **** 0.0000 19 C -2.4820 2.0646 -4.4012 C.3 1 **** 0.0000 20 N -2.7637 3.4738 -4.3501 N.3 1 **** 0.0000 21 C -3.5483 3.8052 -5.5088 C.3 1 **** 0.0000 22 C -3.5761 3.7154 -3.1884 C.3 1 **** 0.0000 23 C 0.0492 -0.3174 2.5066 C.ar 1 **** 0.0000 24 C -1.0640 -0.9825 1.9927 C.ar 1 **** 0.0000 25 C -2.3285 -0.7446 2.5312 C.ar 1 **** 0.0000 26 C -2.4798 0.1581 3.5837 C.ar 1 **** 0.0000 27 C -1.3667 0.8231 4.0977 C.ar 1 **** 0.0000 28 C -0.1022 0.5854 3.5591 C.ar 1 **** 0.0000 29 H 1.9305 -1.2723 5.6636 H 1 **** 0.0000 30 H 1.2100 0.1485 4.7894 H 1 **** 0.0000 31 H 0.3175 -1.4345 4.8421 H 1 **** 0.0000 32 H 2.1306 -2.5011 3.4997 H 1 **** 0.0000 33 H 3.0232 -0.9181 3.4470 H 1 **** 0.0000 34 H 3.1883 -2.0690 3.0191 H 1 **** 0.0000 35 H 5.3365 -3.2903 2.6757 H 1 **** 0.0000 36 H 6.1209 -3.8090 0.3649 H 1 **** 0.0000 37 H 4.7572 -3.1065 -1.6025 H 1 **** 0.0000 38 H 2.6091 -1.8848 -1.2591 H 1 **** 0.0000 39 H 0.8135 -2.8656 -0.8157 H 1 **** 0.0000 40 H -0.5499 -2.1627 -2.7833 H 1 **** 0.0000 41 H -0.5585 1.9047 -1.3243 H 1 **** 0.0000 42 H 0.8051 1.2018 0.6431 H 1 **** 0.0000 43 H -2.2165 1.8992 -2.2591 H 1 **** 0.0000 44 H -0.6938 2.2379 -3.1929 H 1 **** 0.0000 45 H -1.9154 1.8336 -5.3310 H 1 **** 0.0000 46 H -3.4381 1.4949 -4.3972 H 1 **** 0.0000 47 H -3.7841 4.8928 -5.4991 H 1 **** 0.0000 48 H -2.9725 3.5590 -6.4288 H 1 **** 0.0000 49 H -4.4952 3.2203 -5.4951 H 1 **** 0.0000 50 H -3.8126 4.8008 -3.1195 H 1 **** 0.0000 51 H -3.0221 3.3984 -2.2765 H 1 **** 0.0000 52 H -4.5218 3.1342 -3.2698 H 1 **** 0.0000 53 H -0.9446 -1.6945 1.1628 H 1 **** 0.0000 54 H -3.2064 -1.2691 2.1259 H 1 **** 0.0000 55 H -3.4771 0.3456 4.0083 H 1 **** 0.0000 56 H -1.4861 1.5350 4.9277 H 1 **** 0.0000 57 H 0.7757 1.1098 3.9644 H 1 **** 0.0000 @BOND 1 1 2 1 2 1 29 1 3 1 30 1 4 1 31 1 5 2 3 1 6 2 32 1 7 2 33 1 8 3 4 2 9 3 23 1 10 4 5 1 11 4 11 1 12 5 6 1 13 5 10 2 14 6 7 2 15 6 34 1 16 7 8 1 17 7 35 1 18 8 9 2 19 8 36 1 20 9 10 1 21 9 37 1 22 10 38 1 23 11 12 1 24 11 16 2 25 12 13 2 26 12 39 1 27 13 14 1 28 13 40 1 29 14 15 2 30 14 17 1 31 15 16 1 32 15 41 1 33 16 42 1 34 17 18 1 35 18 19 1 36 18 43 1 37 18 44 1 38 19 20 1 39 19 45 1 40 19 46 1 41 20 21 1 42 20 22 1 43 21 47 1 44 21 48 1 45 21 49 1 46 22 50 1 47 22 51 1 48 22 52 1 49 23 24 1 50 23 28 2 51 24 25 2 52 24 53 1 53 25 26 1 54 25 54 1 55 26 27 2 56 26 55 1 57 27 28 1 58 27 56 1 59 28 57 1