@MOLECULE 73425476 60 65 1 SMALL USER_CHARGES @ATOM 1 N1 -3.2553 3.0693 -1.5184 N.3 1 noname 0.0000 2 N2 -3.6735 -0.7565 -4.3845 N.3 1 noname 0.0000 3 N3 -3.5254 4.5380 -3.5776 N.3 1 noname 0.0000 4 N4 -5.8135 -0.6271 -2.9569 N.3 1 noname 0.0000 5 C1 -5.0602 2.7151 -3.3098 C.3 1 noname 0.0000 6 C2 -5.1779 1.3514 -4.2095 C.3 1 noname 0.0000 7 C3 -3.5653 3.1960 -3.0315 C.3 1 noname 0.0000 8 C4 -4.6839 0.0083 -3.5255 C.3 1 noname 0.0000 9 C5 -5.6664 2.5665 -1.8540 C.3 1 noname 0.0000 10 C6 -4.3717 1.3384 -5.5639 C.3 1 noname 0.0000 11 C7 -4.6290 3.1708 -0.8808 C.3 1 noname 0.0000 12 C8 -3.2488 0.2712 -5.4192 C.3 1 noname 0.0000 13 C9 -6.6024 0.9079 -4.3399 C.2 1 noname 0.0000 14 C10 -5.6636 4.0030 -3.8436 C.2 1 noname 0.0000 15 C11 -6.9028 -0.1737 -3.5025 C.2 1 noname 0.0000 16 C12 -4.7304 5.0442 -3.8443 C.2 1 noname 0.0000 17 C13 -2.4612 -1.2222 -3.5763 C.3 1 noname 0.0000 18 C14 -4.3841 -1.9476 -5.0032 C.3 1 noname 0.0000 19 C15 -2.3067 4.1269 -1.0004 C.3 1 noname 0.0000 20 C16 -2.5699 1.7586 -1.1339 C.3 1 noname 0.0000 21 C17 -7.0197 4.3451 -4.1018 C.2 1 noname 0.0000 22 C18 -7.6366 1.4250 -5.1456 C.2 1 noname 0.0000 23 C19 -5.1074 6.4019 -4.0117 C.2 1 noname 0.0000 24 C20 -8.1915 -0.6530 -3.2781 C.2 1 noname 0.0000 25 C21 -7.4047 5.6829 -4.3413 C.2 1 noname 0.0000 26 C22 -8.9719 1.0804 -4.8157 C.2 1 noname 0.0000 27 C23 -6.4610 6.7260 -4.2574 C.2 1 noname 0.0000 28 C24 -9.2484 0.0474 -3.8788 C.2 1 noname 0.0000 29 H1 -4.2869 0.1827 -2.5791 H 1 noname 0.0000 30 H2 -2.8546 2.6446 -3.6622 H 1 noname 0.0000 31 H3 -3.9308 2.3135 -5.8154 H 1 noname 0.0000 32 H4 -4.9855 1.0683 -6.4275 H 1 noname 0.0000 33 H5 -6.6583 3.0283 -1.7004 H 1 noname 0.0000 34 H6 -5.8212 1.5316 -1.5435 H 1 noname 0.0000 35 H7 -2.3206 0.7925 -5.1463 H 1 noname 0.0000 36 H8 -3.0227 -0.1868 -6.3850 H 1 noname 0.0000 37 H9 -4.9297 4.2035 -0.6713 H 1 noname 0.0000 38 H10 -4.7090 2.6486 0.0819 H 1 noname 0.0000 39 H11 -5.8035 -1.1937 -2.1676 H 1 noname 0.0000 40 H12 -2.7109 5.0302 -3.7890 H 1 noname 0.0000 41 H13 -1.7519 -1.7847 -4.1781 H 1 noname 0.0000 42 H14 -2.7428 -1.8509 -2.7320 H 1 noname 0.0000 43 H15 -1.9011 -0.3874 -3.1556 H 1 noname 0.0000 44 H16 -3.7441 -2.5256 -5.6546 H 1 noname 0.0000 45 H17 -5.2534 -1.6482 -5.5890 H 1 noname 0.0000 46 H18 -4.7503 -2.6270 -4.2291 H 1 noname 0.0000 47 H19 -2.0954 4.0047 0.0558 H 1 noname 0.0000 48 H20 -2.6989 5.1248 -1.0999 H 1 noname 0.0000 49 H21 -1.3581 4.1025 -1.5203 H 1 noname 0.0000 50 H22 -2.1945 1.7251 -0.1023 H 1 noname 0.0000 51 H23 -3.1883 0.8992 -1.1415 H 1 noname 0.0000 52 H24 -1.7088 1.6135 -1.7864 H 1 noname 0.0000 53 H25 -7.4368 2.1096 -5.8857 H 1 noname 0.0000 54 H26 -7.7675 3.6648 -4.0639 H 1 noname 0.0000 55 H27 -8.3405 -1.4698 -2.6975 H 1 noname 0.0000 56 H28 -4.4287 7.1516 -3.8759 H 1 noname 0.0000 57 H29 -8.3787 5.9023 -4.5883 H 1 noname 0.0000 58 H30 -9.7503 1.6248 -5.2194 H 1 noname 0.0000 59 H31 -10.2144 -0.1955 -3.6326 H 1 noname 0.0000 60 H32 -6.7644 7.7087 -4.3554 H 1 noname 0.0000 @BOND 1 1 7 1 2 1 11 1 3 1 19 1 4 1 20 1 5 2 8 1 6 2 12 1 7 2 17 1 8 2 18 1 9 3 7 1 10 3 16 1 11 3 40 1 12 4 8 1 13 4 15 1 14 4 39 1 15 5 6 1 16 5 7 1 17 5 9 1 18 5 14 1 19 6 8 1 20 6 10 1 21 6 13 1 22 7 30 1 23 8 29 1 24 9 11 1 25 9 33 1 26 9 34 1 27 10 12 1 28 10 31 1 29 10 32 1 30 11 37 1 31 11 38 1 32 12 35 1 33 12 36 1 34 13 15 1 35 13 22 2 36 14 16 1 37 14 21 2 38 15 24 2 39 16 23 2 40 17 41 1 41 17 42 1 42 17 43 1 43 18 44 1 44 18 45 1 45 18 46 1 46 19 47 1 47 19 48 1 48 19 49 1 49 20 50 1 50 20 51 1 51 20 52 1 52 21 25 1 53 21 54 1 54 22 26 1 55 22 53 1 56 23 27 1 57 23 56 1 58 24 28 1 59 24 55 1 60 25 27 2 61 25 57 1 62 26 28 2 63 26 58 1 64 27 60 1 65 28 59 1 @SUBSTRUCTURE 1 noname 1