@MOLECULE 73425407 30 30 1 SMALL USER_CHARGES @ATOM 1 N1 -3.0716 -1.4565 0.3005 N.3 1 noname -0.3128 2 N2 -5.2504 -4.8113 2.7839 N.1 1 noname -0.1962 3 C1 -1.8730 -0.7103 0.6800 C.3 1 noname 0.0080 4 C2 -0.7106 -1.6833 0.8869 C.3 1 noname 0.0146 5 C3 0.4863 -0.9381 1.2659 C.2 1 noname -0.0568 6 C4 -1.5169 0.2812 -0.4296 C.3 1 noname -0.0494 7 C5 -3.4119 -2.4039 1.3608 C.3 1 noname 0.0085 8 C6 0.7572 -0.6936 2.6071 C.2 1 noname -0.0634 9 C7 1.3550 -0.4731 0.2854 C.2 1 noname -0.0634 10 C8 -4.6662 -3.1848 0.9636 C.3 1 noname 0.0475 11 C9 1.8967 0.0159 2.9679 C.2 1 noname -0.0629 12 C10 2.4945 0.2364 0.6462 C.2 1 noname -0.0629 13 C11 2.7654 0.4809 1.9875 C.2 1 noname -0.0682 14 C12 -4.9832 -4.0674 1.9514 C.1 1 noname 0.0616 15 H1 -2.0613 -0.1670 1.6060 H 1 noname 0.0465 16 H2 -0.5223 -2.2266 -0.0391 H 1 noname 0.0332 17 H3 -0.9643 -2.3896 1.6774 H 1 noname 0.0332 18 H4 -3.8481 -0.8065 0.1623 H 1 noname 0.1225 19 H5 -0.6233 0.8375 -0.1466 H 1 noname 0.0246 20 H6 -2.3450 0.9744 -0.5770 H 1 noname 0.0246 21 H7 -1.3286 -0.2621 -1.3556 H 1 noname 0.0246 22 H8 -3.6002 -1.8606 2.2868 H 1 noname 0.0438 23 H9 -2.5838 -3.0971 1.5082 H 1 noname 0.0438 24 H10 0.1198 -1.0348 3.3266 H 1 noname 0.0625 25 H11 1.1562 -0.6525 -0.6988 H 1 noname 0.0625 26 H12 -5.4943 -2.4916 0.8162 H 1 noname 0.0437 27 H13 -4.4779 -3.7281 0.0376 H 1 noname 0.0437 28 H14 2.0955 0.1953 3.9521 H 1 noname 0.0622 29 H15 3.1320 0.5776 -0.0733 H 1 noname 0.0622 30 H16 3.6016 1.0015 2.2522 H 1 noname 0.0622 @BOND 1 3 1 1 2 1 7 1 3 1 18 1 4 2 14 3 5 3 4 1 6 3 6 1 7 3 15 1 8 4 5 1 9 4 16 1 10 4 17 1 11 5 8 2 12 5 9 1 13 6 19 1 14 6 20 1 15 6 21 1 16 7 10 1 17 7 22 1 18 7 23 1 19 8 11 1 20 8 24 1 21 9 12 2 22 9 25 1 23 10 14 1 24 10 26 1 25 10 27 1 26 11 13 2 27 11 28 1 28 12 13 1 29 12 29 1 30 13 30 1 @SUBSTRUCTURE 1 noname 1