@MOLECULE 90479531 49 48 1 SMALL USER_CHARGES @ATOM 1 N1 -6.1163 4.0683 -0.2145 N.3 1 noname -0.3093 2 C1 0.7383 2.9781 2.4650 C.3 1 noname -0.0533 3 C2 2.1607 2.5438 2.1055 C.3 1 noname -0.0533 4 C3 -0.1453 2.9136 1.2177 C.3 1 noname -0.0533 5 C4 3.0443 2.6083 3.3529 C.3 1 noname -0.0533 6 C5 -1.5676 3.3480 1.5772 C.3 1 noname -0.0532 7 C6 4.4666 2.1739 2.9934 C.3 1 noname -0.0533 8 C7 -2.4512 3.2834 0.3298 C.3 1 noname -0.0521 9 C8 5.3502 2.2385 4.2407 C.3 1 noname -0.0533 10 C9 -3.8735 3.7178 0.6893 C.3 1 noname -0.0404 11 C10 6.7725 1.8041 3.8812 C.3 1 noname -0.0535 12 C11 -4.7572 3.6533 -0.5581 C.3 1 noname -0.0024 13 C12 7.6561 1.8686 5.1286 C.3 1 noname -0.0561 14 C13 9.0785 1.4343 4.7691 C.3 1 noname -0.0654 15 C14 -6.9606 4.0067 -1.4065 C.3 1 noname -0.0136 16 C15 -6.0931 5.4381 0.2960 C.3 1 noname -0.0136 17 H1 0.3373 2.3123 3.2292 H 1 noname 0.0266 18 H2 0.7556 3.9994 2.8456 H 1 noname 0.0266 19 H3 2.1434 1.5225 1.7249 H 1 noname 0.0266 20 H4 2.5617 3.2096 1.3413 H 1 noname 0.0266 21 H5 -0.1625 1.8924 0.8370 H 1 noname 0.0266 22 H6 0.2557 3.5794 0.4535 H 1 noname 0.0266 23 H7 2.6433 1.9425 4.1171 H 1 noname 0.0266 24 H8 3.0615 3.6295 3.7335 H 1 noname 0.0266 25 H9 -1.9686 2.6821 2.3413 H 1 noname 0.0266 26 H10 -1.5504 4.3692 1.9578 H 1 noname 0.0266 27 H11 4.4493 1.1527 2.6127 H 1 noname 0.0266 28 H12 4.8676 2.8398 2.2292 H 1 noname 0.0266 29 H13 -2.4685 2.2622 -0.0508 H 1 noname 0.0267 30 H14 -2.0502 3.9493 -0.4344 H 1 noname 0.0267 31 H15 4.9492 1.5726 5.0049 H 1 noname 0.0266 32 H16 5.3675 3.2597 4.6214 H 1 noname 0.0266 33 H17 -4.2745 3.0520 1.4535 H 1 noname 0.0279 34 H18 -3.8563 4.7390 1.0699 H 1 noname 0.0279 35 H19 6.7553 0.7829 3.5006 H 1 noname 0.0266 36 H20 7.1735 2.4699 3.1170 H 1 noname 0.0266 37 H21 -4.7744 2.6320 -0.9387 H 1 noname 0.0430 38 H22 -4.3561 4.3191 -1.3222 H 1 noname 0.0430 39 H23 7.2551 1.2028 5.8928 H 1 noname 0.0264 40 H24 7.6734 2.8899 5.5092 H 1 noname 0.0264 41 H25 9.7080 1.4802 5.6577 H 1 noname 0.0230 42 H26 9.0612 0.4130 4.3885 H 1 noname 0.0230 43 H27 9.4795 2.1001 4.0049 H 1 noname 0.0230 44 H28 -7.9739 4.3161 -1.1503 H 1 noname 0.0394 45 H29 -7.1064 5.7475 0.5521 H 1 noname 0.0394 46 H30 -6.9778 2.9854 -1.7871 H 1 noname 0.0394 47 H31 -6.5596 4.6725 -2.1706 H 1 noname 0.0394 48 H32 -5.6921 6.1039 -0.4682 H 1 noname 0.0394 49 H33 -5.4636 5.4841 1.1846 H 1 noname 0.0394 @BOND 1 1 12 1 2 1 15 1 3 1 16 1 4 2 3 1 5 2 4 1 6 2 17 1 7 2 18 1 8 3 5 1 9 3 19 1 10 3 20 1 11 4 6 1 12 4 21 1 13 4 22 1 14 5 7 1 15 5 23 1 16 5 24 1 17 6 8 1 18 6 25 1 19 6 26 1 20 7 9 1 21 7 27 1 22 7 28 1 23 8 10 1 24 8 29 1 25 8 30 1 26 9 11 1 27 9 31 1 28 9 32 1 29 10 12 1 30 10 33 1 31 10 34 1 32 11 13 1 33 11 35 1 34 11 36 1 35 12 37 1 36 12 38 1 37 13 14 1 38 13 39 1 39 13 40 1 40 14 41 1 41 14 42 1 42 14 43 1 43 15 44 1 44 15 46 1 45 15 47 1 46 16 45 1 47 16 48 1 48 16 49 1 @SUBSTRUCTURE 1 noname 1