@MOLECULE 67894972 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -0.7941 3.4431 0.0709 O.3 1 noname -0.2793 2 N1 3.9370 -2.5506 -1.4258 N.3 1 noname -0.3116 3 N2 0.3708 -0.0253 -0.1894 N.2 1 noname -0.2508 4 C1 3.0928 -1.3571 -1.4055 C.3 1 noname 0.0097 5 C2 5.0702 -2.3615 -0.5215 C.3 1 noname 0.0014 6 C3 2.5774 -1.1211 0.0156 C.3 1 noname 0.0451 7 C4 1.9070 -1.5551 -2.3518 C.3 1 noname -0.0494 8 C5 1.7344 0.0707 0.0359 C.2 1 noname -0.0132 9 C6 5.9536 -3.6105 -0.5428 C.3 1 noname -0.0500 10 C7 5.8880 -1.1505 -0.9751 C.3 1 noname -0.0500 11 C8 2.3027 1.3644 0.2897 C.2 1 noname -0.0217 12 C9 1.4213 2.4913 0.2957 C.2 1 noname -0.0148 13 C10 -0.5044 1.0486 -0.1892 C.2 1 noname 0.0218 14 C11 0.0160 2.3632 0.0597 C.2 1 noname 0.0225 15 H1 3.6755 -0.4944 -1.7286 H 1 noname 0.0465 16 H2 4.7030 -2.1933 0.4909 H 1 noname 0.0459 17 H3 1.9948 -1.9838 0.3387 H 1 noname 0.0348 18 H4 3.4222 -0.9801 0.6898 H 1 noname 0.0348 19 H5 3.3907 -3.3595 -1.1228 H 1 noname 0.1227 20 H6 1.2776 -0.6653 -2.3367 H 1 noname 0.0246 21 H7 1.3244 -2.4177 -2.0287 H 1 noname 0.0246 22 H8 2.2742 -1.7232 -3.3642 H 1 noname 0.0246 23 H9 6.7328 -1.0095 -0.3009 H 1 noname 0.0246 24 H10 5.2586 -0.2607 -0.9599 H 1 noname 0.0246 25 H11 6.7984 -3.4695 0.1314 H 1 noname 0.0246 26 H12 5.3710 -4.4732 -0.2197 H 1 noname 0.0246 27 H13 6.3208 -3.7786 -1.5552 H 1 noname 0.0246 28 H14 6.2552 -1.3187 -1.9875 H 1 noname 0.0246 29 H15 3.3021 1.4764 0.4601 H 1 noname 0.0642 30 H16 1.8081 3.4181 0.4743 H 1 noname 0.0651 31 H17 -1.4997 0.9079 -0.3627 H 1 noname 0.0867 32 H18 -1.7156 3.1621 -0.1089 H 1 noname 0.2182 @BOND 1 1 14 1 2 1 32 1 3 2 4 1 4 2 5 1 5 2 19 1 6 3 8 2 7 3 13 1 8 4 6 1 9 4 7 1 10 4 15 1 11 5 9 1 12 5 10 1 13 5 16 1 14 6 8 1 15 6 17 1 16 6 18 1 17 7 20 1 18 7 21 1 19 7 22 1 20 8 11 1 21 9 25 1 22 9 26 1 23 9 27 1 24 10 23 1 25 10 24 1 26 10 28 1 27 11 12 2 28 11 29 1 29 12 14 1 30 12 30 1 31 13 14 2 32 13 31 1 @SUBSTRUCTURE 1 noname 1