@MOLECULE 71586889 29 29 1 SMALL USER_CHARGES @ATOM 1 N1 -2.8315 -1.8183 1.2584 N.3 1 noname -0.3144 2 C1 -1.6947 -0.9977 0.8439 C.3 1 noname 0.0163 3 C2 -1.4082 -1.2354 -0.6401 C.3 1 noname 0.0161 4 C3 -0.4634 -1.3783 1.6685 C.3 1 noname -0.0468 5 C4 -2.0230 0.4796 1.0697 C.3 1 noname -0.0468 6 C5 -0.2730 -0.4159 -1.0539 C.2 1 noname -0.0566 7 C6 -4.0081 -1.4546 0.4705 C.3 1 noname -0.0159 8 C7 1.0188 -0.9209 -0.9624 C.2 1 noname -0.0631 9 C8 -0.4840 0.8694 -1.5394 C.2 1 noname -0.0631 10 C9 2.0996 -0.1406 -1.3564 C.2 1 noname -0.0628 11 C10 0.5968 1.6496 -1.9334 C.2 1 noname -0.0628 12 C11 1.8886 1.1446 -1.8419 C.2 1 noname -0.0679 13 H1 -2.2854 -0.9642 -1.2275 H 1 noname 0.0334 14 H2 -1.1743 -2.2878 -0.8009 H 1 noname 0.0334 15 H3 0.3841 -0.7665 1.3595 H 1 noname 0.0249 16 H4 -0.6676 -1.2089 2.7257 H 1 noname 0.0249 17 H5 -0.2296 -2.4307 1.5076 H 1 noname 0.0249 18 H6 -1.1754 1.0914 0.7608 H 1 noname 0.0249 19 H7 -2.9002 0.7508 0.4823 H 1 noname 0.0249 20 H8 -2.2271 0.6489 2.1270 H 1 noname 0.0249 21 H9 -2.6122 -2.8051 1.1075 H 1 noname 0.1224 22 H10 -4.8556 -2.0664 0.7794 H 1 noname 0.0391 23 H11 -4.2419 -0.4022 0.6313 H 1 noname 0.0391 24 H12 -3.8039 -1.6239 -0.5868 H 1 noname 0.0391 25 H13 1.1736 -1.8640 -0.6062 H 1 noname 0.0625 26 H14 -1.4319 1.2400 -1.6065 H 1 noname 0.0625 27 H15 3.0475 -0.5112 -1.2893 H 1 noname 0.0622 28 H16 0.4420 2.5928 -2.2897 H 1 noname 0.0622 29 H17 2.6817 1.7172 -2.1310 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 7 1 3 1 21 1 4 2 3 1 5 2 4 1 6 2 5 1 7 3 6 1 8 3 13 1 9 3 14 1 10 4 15 1 11 4 16 1 12 4 17 1 13 5 18 1 14 5 19 1 15 5 20 1 16 6 8 2 17 6 9 1 18 7 22 1 19 7 23 1 20 7 24 1 21 8 10 1 22 8 25 1 23 9 11 2 24 9 26 1 25 10 12 2 26 10 27 1 27 11 12 1 28 11 28 1 29 12 29 1 @SUBSTRUCTURE 1 noname 1