@MOLECULE 90479386 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -2.0837 0.7509 -0.6591 O.2 1 noname -0.2884 2 N1 -0.1472 -0.1269 0.2768 N.3 1 noname -0.0550 3 N2 1.2486 1.5835 -0.0087 N.3 1 noname -0.2903 4 C1 1.2627 0.0959 0.0633 C.3 1 noname 0.0721 5 C2 2.3953 -0.4437 1.0116 C.3 1 noname -0.0089 6 C3 -0.0155 1.9721 -0.6687 C.3 1 noname 0.0800 7 C4 -0.8553 0.8036 -0.3922 C.2 1 noname 0.0544 8 C5 3.8073 -0.0095 0.4550 C.3 1 noname -0.0574 9 C6 2.1914 0.1391 2.4471 C.3 1 noname -0.0574 10 C7 2.3977 -2.0111 1.0059 C.3 1 noname -0.0574 11 C8 -0.8235 -1.0979 1.1044 C.3 1 noname -0.0041 12 C9 0.1633 2.2835 -2.1706 C.3 1 noname -0.0412 13 H1 1.5043 -0.2754 -0.9469 H 1 noname 0.0647 14 H2 -0.4212 2.8519 -0.1583 H 1 noname 0.0559 15 H3 2.0509 1.9413 -0.5355 H 1 noname 0.1245 16 H4 4.5998 -0.3893 1.0822 H 1 noname 0.0237 17 H5 3.9793 -0.3802 -0.5499 H 1 noname 0.0237 18 H6 3.9110 1.0691 0.4214 H 1 noname 0.0237 19 H7 2.9457 -0.2475 3.1247 H 1 noname 0.0237 20 H8 1.2050 -0.1050 2.8334 H 1 noname 0.0237 21 H9 2.2902 1.2203 2.4304 H 1 noname 0.0237 22 H10 3.2701 -2.4098 1.5252 H 1 noname 0.0237 23 H11 1.5193 -2.4562 1.4695 H 1 noname 0.0237 24 H12 2.4591 -2.4114 0.0047 H 1 noname 0.0237 25 H13 -0.6362 -2.1229 0.8180 H 1 noname 0.0399 26 H14 -1.8963 -0.9059 1.0867 H 1 noname 0.0399 27 H15 -0.4192 -1.0181 2.1134 H 1 noname 0.0399 28 H16 -0.7985 2.5626 -2.6008 H 1 noname 0.0251 29 H17 0.5473 1.4005 -2.6815 H 1 noname 0.0251 30 H18 0.8673 3.1071 -2.2896 H 1 noname 0.0251 @BOND 1 1 7 2 2 2 4 1 3 2 7 1 4 2 11 1 5 3 4 1 6 3 6 1 7 3 15 1 8 4 5 1 9 4 13 1 10 5 8 1 11 5 9 1 12 5 10 1 13 6 7 1 14 6 12 1 15 6 14 1 16 8 16 1 17 8 17 1 18 8 18 1 19 9 19 1 20 9 20 1 21 9 21 1 22 10 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 12 30 1 @SUBSTRUCTURE 1 noname 1