@MOLECULE 70622037 30 31 1 SMALL USER_CHARGES @ATOM 1 O1 1.7468 -1.4706 1.4393 O.3 1 noname -0.2750 2 N1 -0.8619 -0.3428 1.5562 N.3 1 noname -0.1221 3 N2 -3.6634 -0.7856 1.4464 N.3 1 noname -0.3141 4 C1 -1.2838 -1.7151 1.3101 C.3 1 noname 0.0158 5 C2 -1.6437 0.4314 2.5189 C.3 1 noname 0.0158 6 C3 -2.8186 -2.0178 1.4731 C.3 1 noname 0.0084 7 C4 -3.1465 0.4720 2.1069 C.3 1 noname 0.0084 8 C5 0.1719 0.2482 0.8278 C.2 1 noname -0.0066 9 C6 1.4870 -0.3348 0.7574 C.2 1 noname -0.0131 10 C7 -0.0937 1.4719 0.1052 C.2 1 noname -0.0589 11 C8 2.5191 0.2676 -0.0204 C.2 1 noname -0.0349 12 C9 0.9203 2.0954 -0.6729 C.2 1 noname -0.0753 13 C10 2.2144 1.4711 -0.7245 C.2 1 noname -0.0825 14 C11 2.2155 -1.1453 2.7397 C.3 1 noname 0.0424 15 H1 -0.9561 -2.0234 0.3172 H 1 noname 0.0447 16 H2 -0.7543 -2.3692 2.0028 H 1 noname 0.0447 17 H3 -1.5501 -0.0176 3.5077 H 1 noname 0.0447 18 H4 -1.2683 1.4523 2.5883 H 1 noname 0.0447 19 H5 -3.1410 -2.6965 0.6835 H 1 noname 0.0441 20 H6 -2.9445 -2.4589 2.4619 H 1 noname 0.0441 21 H7 -3.7568 0.7006 2.9806 H 1 noname 0.0441 22 H8 -3.2948 1.2724 1.3820 H 1 noname 0.0441 23 H9 -4.5941 -1.0027 1.8085 H 1 noname 0.1223 24 H10 -1.0210 1.8938 0.1542 H 1 noname 0.0640 25 H11 3.4484 -0.1496 -0.0721 H 1 noname 0.0650 26 H12 0.7348 2.9608 -1.1798 H 1 noname 0.0623 27 H13 2.9450 1.9063 -1.2877 H 1 noname 0.0623 28 H14 2.4252 -2.0624 3.2902 H 1 noname 0.0535 29 H15 1.4539 -0.5710 3.2672 H 1 noname 0.0535 30 H16 3.1269 -0.5529 2.6598 H 1 noname 0.0535 @BOND 1 1 9 1 2 1 14 1 3 2 4 1 4 2 5 1 5 2 8 1 6 3 6 1 7 3 7 1 8 3 23 1 9 4 6 1 10 4 15 1 11 4 16 1 12 5 7 1 13 5 17 1 14 5 18 1 15 6 19 1 16 6 20 1 17 7 21 1 18 7 22 1 19 8 9 1 20 8 10 2 21 9 11 2 22 10 12 1 23 10 24 1 24 11 13 1 25 11 25 1 26 12 13 2 27 12 26 1 28 13 27 1 29 14 28 1 30 14 29 1 31 14 30 1 @SUBSTRUCTURE 1 noname 1