@MOLECULE 76956343 64 63 1 SMALL USER_CHARGES @ATOM 1 N1 9.7784 -1.3233 -4.2272 N.3 1 noname 0.0000 2 C1 8.3763 -1.8245 -4.0761 C.3 1 noname 0.0000 3 C2 7.5405 -0.9221 -3.1323 C.3 1 noname 0.0000 4 C3 6.1425 -1.4282 -2.9862 C.3 1 noname 0.0000 5 C4 5.4059 -0.4758 -2.0429 C.3 1 noname 0.0000 6 C5 10.5212 -2.2367 -5.1451 C.3 1 noname 0.0000 7 C6 10.4809 -1.3119 -2.9009 C.3 1 noname 0.0000 8 C7 9.7854 0.0542 -4.8231 C.3 1 noname 0.0000 9 C8 3.9813 -0.9939 -1.8938 C.3 1 noname 0.0000 10 C9 3.2285 -0.0779 -0.9593 C.3 1 noname 0.0000 11 C10 1.7944 -0.6162 -0.7992 C.3 1 noname 0.0000 12 C11 1.0655 0.2852 0.1968 C.3 1 noname 0.0000 13 C12 -0.3293 -0.1082 0.3003 C.2 1 noname 0.0000 14 C13 -1.3686 0.6656 -0.0579 C.2 1 noname 0.0000 15 C14 0.9195 3.9397 -3.2293 C.3 1 noname 0.0000 16 C15 -1.2584 2.0111 -0.5750 C.3 1 noname 0.0000 17 C16 2.4267 4.1556 -2.9765 C.3 1 noname 0.0000 18 C17 0.5586 2.4854 -2.9404 C.3 1 noname 0.0000 19 C18 2.8274 5.5673 -3.4384 C.3 1 noname 0.0000 20 C19 -1.6936 2.0571 -1.9558 C.2 1 noname 0.0000 21 C20 -0.8861 2.2894 -3.0111 C.2 1 noname 0.0000 22 C21 4.3213 5.8214 -3.2231 C.3 1 noname 0.0000 23 H1 7.8820 -1.8582 -5.0571 H 1 noname 0.0000 24 H2 8.3845 -2.8452 -3.6685 H 1 noname 0.0000 25 H3 7.4553 0.0920 -3.5122 H 1 noname 0.0000 26 H4 7.9558 -0.8910 -2.1290 H 1 noname 0.0000 27 H5 5.6846 -1.4330 -3.9738 H 1 noname 0.0000 28 H6 6.1932 -2.4320 -2.5681 H 1 noname 0.0000 29 H7 5.3961 0.5389 -2.4606 H 1 noname 0.0000 30 H8 5.9017 -0.4537 -1.0644 H 1 noname 0.0000 31 H9 10.8007 0.4179 -4.9411 H 1 noname 0.0000 32 H10 9.3308 0.7943 -4.1781 H 1 noname 0.0000 33 H11 9.2608 0.0489 -5.7874 H 1 noname 0.0000 34 H12 11.5003 -0.9562 -3.0078 H 1 noname 0.0000 35 H13 10.0465 -0.6113 -2.2003 H 1 noname 0.0000 36 H14 10.4652 -2.3167 -2.4589 H 1 noname 0.0000 37 H15 11.5507 -1.8845 -5.2673 H 1 noname 0.0000 38 H16 10.0416 -2.2648 -6.1295 H 1 noname 0.0000 39 H17 10.5449 -3.2535 -4.7384 H 1 noname 0.0000 40 H18 3.4902 -1.0124 -2.8750 H 1 noname 0.0000 41 H19 3.9979 -2.0083 -1.4775 H 1 noname 0.0000 42 H20 3.2042 0.9405 -1.3744 H 1 noname 0.0000 43 H21 3.7069 -0.0426 0.0253 H 1 noname 0.0000 44 H22 1.2785 -0.6002 -1.7705 H 1 noname 0.0000 45 H23 1.8004 -1.6351 -0.3894 H 1 noname 0.0000 46 H24 1.2490 1.2854 -0.1731 H 1 noname 0.0000 47 H25 1.5022 0.2887 1.2099 H 1 noname 0.0000 48 H26 -0.5319 -1.0297 0.6596 H 1 noname 0.0000 49 H27 -2.2952 0.2848 0.0482 H 1 noname 0.0000 50 H28 0.3284 4.6583 -2.6300 H 1 noname 0.0000 51 H29 0.6848 4.0601 -4.2894 H 1 noname 0.0000 52 H30 2.6340 4.0385 -1.9033 H 1 noname 0.0000 53 H31 2.9896 3.4042 -3.5448 H 1 noname 0.0000 54 H32 -1.7571 2.7189 0.0851 H 1 noname 0.0000 55 H33 -0.2774 2.4336 -0.5077 H 1 noname 0.0000 56 H34 0.9139 2.2134 -1.9465 H 1 noname 0.0000 57 H35 1.0666 1.9014 -3.7078 H 1 noname 0.0000 58 H36 2.2496 6.3081 -2.8857 H 1 noname 0.0000 59 H37 2.6079 5.6651 -4.5016 H 1 noname 0.0000 60 H38 -2.6763 1.8986 -2.1174 H 1 noname 0.0000 61 H39 -1.2667 2.3582 -3.8925 H 1 noname 0.0000 62 H40 4.5710 6.8275 -3.5598 H 1 noname 0.0000 63 H41 4.5575 5.7237 -2.1635 H 1 noname 0.0000 64 H42 4.8994 5.0937 -3.7927 H 1 noname 0.0000 @BOND 1 1 2 1 2 1 6 1 3 1 7 1 4 1 8 1 5 2 3 1 6 2 23 1 7 2 24 1 8 3 4 1 9 3 25 1 10 3 26 1 11 4 5 1 12 4 27 1 13 4 28 1 14 5 9 1 15 5 29 1 16 5 30 1 17 6 37 1 18 6 38 1 19 6 39 1 20 7 34 1 21 7 35 1 22 7 36 1 23 8 31 1 24 8 32 1 25 8 33 1 26 9 10 1 27 9 40 1 28 9 41 1 29 10 11 1 30 10 42 1 31 10 43 1 32 11 12 1 33 11 44 1 34 11 45 1 35 12 13 1 36 12 46 1 37 12 47 1 38 13 14 2 39 13 48 1 40 14 16 1 41 14 49 1 42 15 17 1 43 15 18 1 44 15 50 1 45 15 51 1 46 16 20 1 47 16 54 1 48 16 55 1 49 17 19 1 50 17 52 1 51 17 53 1 52 18 21 1 53 18 56 1 54 18 57 1 55 19 22 1 56 19 58 1 57 19 59 1 58 20 21 2 59 20 60 1 60 21 61 1 61 22 62 1 62 22 63 1 63 22 64 1 @SUBSTRUCTURE 1 noname 1