@MOLECULE 92135816 22 24 1 SMALL USER_CHARGES @ATOM 1 N1 2.1136 0.5197 -1.6668 N.3 1 noname -0.2643 2 N2 -0.1496 1.5715 -1.8571 N.3 1 noname -0.2643 3 N3 0.1058 -0.9044 -2.1504 N.3 1 noname -0.2643 4 N4 0.4088 0.1293 0.1141 N.3 1 noname -0.2643 5 C1 1.3249 1.7139 -2.1297 C.3 1 noname 0.0556 6 C2 1.8657 0.3610 -0.1900 C.3 1 noname 0.0556 7 C3 -0.3441 1.3328 -0.3827 C.3 1 noname 0.0556 8 C4 -0.0766 -1.0655 -0.6720 C.3 1 noname 0.0556 9 C5 -0.6222 0.3359 -2.5814 C.3 1 noname 0.0556 10 C6 1.5704 -0.6955 -2.3821 C.3 1 noname 0.0556 11 H1 -1.4064 1.2094 -0.1717 H 1 noname 0.0603 12 H2 0.0296 2.2060 0.1519 H 1 noname 0.0603 13 H3 2.2088 1.2532 0.3339 H 1 noname 0.0603 14 H4 2.4175 -0.5170 0.1459 H 1 noname 0.0603 15 H5 1.7594 -0.6023 -3.4515 H 1 noname 0.0603 16 H6 2.1022 -1.5734 -2.0153 H 1 noname 0.0603 17 H7 -1.1297 -1.2412 -0.4528 H 1 noname 0.0603 18 H8 0.4941 -1.9380 -0.3536 H 1 noname 0.0603 19 H9 -1.6918 0.2051 -2.4169 H 1 noname 0.0603 20 H10 -0.4470 0.4773 -3.6479 H 1 noname 0.0603 21 H11 1.4842 1.8628 -3.1977 H 1 noname 0.0603 22 H12 1.6874 2.5852 -1.5843 H 1 noname 0.0603 @BOND 1 1 5 1 2 1 6 1 3 1 10 1 4 2 5 1 5 2 7 1 6 2 9 1 7 3 8 1 8 3 9 1 9 3 10 1 10 4 6 1 11 4 7 1 12 4 8 1 13 5 21 1 14 5 22 1 15 6 13 1 16 6 14 1 17 7 11 1 18 7 12 1 19 8 17 1 20 8 18 1 21 9 19 1 22 9 20 1 23 10 15 1 24 10 16 1 @SUBSTRUCTURE 1 noname 1