@MOLECULE DB01550 30 30 1 SMALL USER_CHARGES @ATOM 1 N1 -7.2177 -1.6889 -0.4485 N.1 1 noname -0.1962 2 C1 -6.2938 -1.9746 0.1701 C.1 1 noname 0.0616 3 C2 -5.1977 -2.3134 0.9041 C.3 1 noname 0.0475 4 C3 -4.0081 -1.4546 0.4705 C.3 1 noname 0.0085 5 N2 -2.8315 -1.8183 1.2584 N.3 1 noname -0.3128 6 C4 -1.6947 -0.9977 0.8439 C.3 1 noname 0.0080 7 C5 -1.4082 -1.2354 -0.6401 C.3 1 noname 0.0146 8 C6 -0.4634 -1.3783 1.6685 C.3 1 noname -0.0494 9 C7 -0.2730 -0.4159 -1.0539 C.2 1 noname -0.0568 10 C8 1.0188 -0.9209 -0.9624 C.2 1 noname -0.0634 11 C9 -0.4840 0.8694 -1.5394 C.2 1 noname -0.0634 12 C10 2.0996 -0.1406 -1.3564 C.2 1 noname -0.0629 13 C11 0.5968 1.6496 -1.9334 C.2 1 noname -0.0629 14 C12 1.8886 1.1446 -1.8419 C.2 1 noname -0.0682 15 H1 -5.4604 -2.0551 1.9300 H 1 noname 0.0437 16 H2 -4.9959 -3.3510 0.6380 H 1 noname 0.0437 17 H3 -3.7717 -1.7170 -0.5607 H 1 noname 0.0438 18 H4 -4.2362 -0.4211 0.7312 H 1 noname 0.0438 19 H5 -2.8077 -2.5269 1.9777 H 1 noname 0.1225 20 H6 -1.9701 0.0420 1.0210 H 1 noname 0.0465 21 H7 -1.0867 -2.2709 -0.7515 H 1 noname 0.0332 22 H8 -2.2652 -0.8671 -1.2040 H 1 noname 0.0332 23 H9 -0.7001 -1.3051 2.7300 H 1 noname 0.0246 24 H10 -0.1693 -2.4008 1.4315 H 1 noname 0.0246 25 H11 0.3564 -0.7002 1.4315 H 1 noname 0.0246 26 H12 1.1843 -1.9287 -0.5817 H 1 noname 0.0625 27 H13 -1.4970 1.2654 -1.6111 H 1 noname 0.0625 28 H14 3.1126 -0.5366 -1.2847 H 1 noname 0.0622 29 H15 0.4313 2.6575 -2.3141 H 1 noname 0.0622 30 H16 2.7361 1.7565 -2.1509 H 1 noname 0.0622 @BOND 1 1 2 3 2 2 3 1 3 3 4 1 4 4 5 1 5 6 5 1 6 6 7 1 7 6 8 1 8 7 9 1 9 9 10 2 10 9 11 1 11 10 12 1 12 11 13 2 13 12 14 2 14 13 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 6 20 1 21 7 21 1 22 7 22 1 23 8 23 1 24 8 24 1 25 8 25 1 26 10 26 1 27 11 27 1 28 12 28 1 29 13 29 1 30 14 30 1 @SUBSTRUCTURE 1 noname 1