@MOLECULE DB03871 53 59 1 SMALL USER_CHARGES @ATOM 1 Ru1 -0.3808 2.3449 -2.1803 Ru 1 noname 1.2534 2 N1 0.6755 0.6648 -2.8973 N.3 1 noname 0.0775 3 N2 -1.6649 0.8190 -1.5443 N.3 1 noname 0.0775 4 N3 0.9243 3.7112 -3.0728 N.3 1 noname 0.0775 5 N4 -1.8308 3.8331 -2.4533 N.3 1 noname 0.0775 6 N5 0.0849 2.9751 -0.1962 N.3 1 noname -0.0364 7 C1 0.4469 -0.1880 -1.8653 C.2 1 noname -0.0353 8 C2 1.5937 0.4130 -3.8485 C.2 1 noname -0.0591 9 C3 -0.7399 -0.0988 -1.1690 C.2 1 noname -0.0353 10 C4 -2.9629 0.6975 -1.2225 C.2 1 noname -0.0591 11 C5 0.2161 4.8524 -3.1064 C.2 1 noname -0.0353 12 C6 2.2801 3.6708 -3.1630 C.2 1 noname -0.0591 13 C7 -1.1434 4.7741 -3.1413 C.2 1 noname -0.0353 14 C8 -3.1694 3.9447 -2.2649 C.2 1 noname -0.0591 15 C9 1.3302 3.0512 0.2948 C.2 1 noname -0.0416 16 C10 -0.7403 3.3706 0.7843 C.2 1 noname -0.0634 17 C11 1.4123 -1.0902 -1.5684 C.2 1 noname -0.0356 18 C12 2.5721 -0.4818 -3.6219 C.2 1 noname -0.0586 19 C13 -1.0389 -0.8932 -0.1146 C.2 1 noname -0.0356 20 C14 -3.3318 -0.0942 -0.2000 C.2 1 noname -0.0586 21 C15 0.8923 6.0056 -2.9139 C.2 1 noname -0.0356 22 C16 3.0019 4.7873 -2.9726 C.2 1 noname -0.0586 23 C17 -1.7972 5.6779 -3.8991 C.2 1 noname -0.0356 24 C18 -3.8850 4.8202 -2.9869 C.2 1 noname -0.0586 25 N6 1.3007 3.4863 1.5606 N.2 1 noname -0.2376 26 C19 0.0234 3.6939 1.8957 C.2 1 noname 0.0130 27 C20 2.6331 -1.2310 -2.3666 C.3 1 noname -0.0136 28 C21 -2.3420 -0.8610 0.5553 C.3 1 noname -0.0136 29 C22 2.3510 6.0792 -2.7185 C.3 1 noname -0.0136 30 C23 -3.2727 5.7588 -3.9239 C.3 1 noname -0.0136 31 H1 1.5448 0.9348 -4.8042 H 1 noname 0.0768 32 H2 -3.7170 1.2415 -1.7913 H 1 noname 0.0768 33 H3 2.7926 2.7359 -3.3897 H 1 noname 0.0768 34 H4 -3.6755 3.3242 -1.5254 H 1 noname 0.0768 35 H5 2.2357 2.7962 -0.2556 H 1 noname 0.1029 36 H6 -1.8255 3.4199 0.6949 H 1 noname 0.0824 37 H7 1.2072 -1.7013 -0.6895 H 1 noname 0.0597 38 H8 3.2935 -0.5964 -4.4310 H 1 noname 0.0590 39 H9 -0.2319 -1.5575 0.1944 H 1 noname 0.0597 40 H10 -4.4011 -0.1139 0.0102 H 1 noname 0.0590 41 H11 0.2526 6.8882 -2.9163 H 1 noname 0.0597 42 H12 4.0819 4.6493 -3.0229 H 1 noname 0.0590 43 H13 -1.1457 6.3305 -4.4803 H 1 noname 0.0597 44 H14 -4.9598 4.7692 -2.8129 H 1 noname 0.0590 45 H15 -0.3212 4.0503 2.8664 H 1 noname 0.0854 46 H16 3.4320 -0.7754 -1.7815 H 1 noname 0.0354 47 H17 2.6935 -2.2830 -2.6453 H 1 noname 0.0354 48 H18 -2.7024 -1.8896 0.5708 H 1 noname 0.0354 49 H19 -2.1906 -0.3224 1.4908 H 1 noname 0.0354 50 H20 2.7279 6.7645 -3.4778 H 1 noname 0.0354 51 H21 2.5082 6.2965 -1.6620 H 1 noname 0.0354 52 H22 -3.5337 6.7549 -3.5664 H 1 noname 0.0354 53 H23 -3.5832 5.4378 -4.9181 H 1 noname 0.0354 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 1 5 1 6 1 6 2 7 1 7 2 8 1 8 3 9 1 9 3 10 1 10 4 11 1 11 4 12 1 12 5 13 1 13 5 14 1 14 6 15 1 15 6 16 1 16 7 17 2 17 7 9 1 18 8 18 2 19 9 19 2 20 10 20 2 21 11 21 2 22 11 13 1 23 12 22 2 24 13 23 2 25 14 24 2 26 15 25 2 27 16 26 2 28 17 27 1 29 18 27 1 30 19 28 1 31 20 28 1 32 21 29 1 33 22 29 1 34 23 30 1 35 24 30 1 36 25 26 1 37 8 31 1 38 10 32 1 39 12 33 1 40 14 34 1 41 15 35 1 42 16 36 1 43 17 37 1 44 18 38 1 45 19 39 1 46 20 40 1 47 21 41 1 48 22 42 1 49 23 43 1 50 24 44 1 51 26 45 1 52 27 46 1 53 27 47 1 54 28 48 1 55 28 49 1 56 29 50 1 57 29 51 1 58 30 52 1 59 30 53 1 @SUBSTRUCTURE 1 noname 1