@MOLECULE FDBD00238 66 69 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -7.6330 2.9311 -0.0800 Cl 1 UNK -0.0835 2 N -1.5107 0.2166 -0.1389 N.4 1 UNK 0.2514 3 N1 1.0726 1.5112 -0.2361 N.4 1 UNK 0.2460 4 C -1.3592 1.6404 0.1851 C.3 1 UNK 0.0104 5 C1 -0.2789 -0.5152 0.1807 C.3 1 UNK 0.0104 6 C2 -0.1595 2.2435 -0.5537 C.3 1 UNK 0.0098 7 C3 0.9206 0.0872 -0.5592 C.3 1 UNK 0.0098 8 C4 -2.6538 -0.3578 0.5676 C.3 1 UNK 0.0313 9 C5 2.2150 2.0851 -0.9445 C.3 1 UNK -0.0055 10 C6 -3.9156 0.4766 0.4030 C.ar 1 UNK 0.0049 11 C7 -2.8879 -1.8164 0.2031 C.ar 1 UNK 0.0048 12 C8 3.5038 1.3971 -0.5808 C.ar 1 UNK -0.0029 13 C9 7.1577 -0.5504 0.4500 C.3 1 UNK -0.0127 14 C10 5.8805 0.1304 0.0899 C.ar 1 UNK -0.0420 15 C11 3.7792 1.1226 0.7513 C.ar 1 UNK -0.0533 16 C12 4.3983 1.0481 -1.5828 C.ar 1 UNK -0.0533 17 C13 -4.1787 1.4762 1.3173 C.ar 1 UNK -0.0515 18 C14 -4.7598 0.2083 -0.6554 C.ar 1 UNK -0.0515 19 C15 -3.4455 -2.6581 1.1441 C.ar 1 UNK -0.0529 20 C16 -2.5359 -2.2542 -1.0575 C.ar 1 UNK -0.0529 21 C17 4.9736 0.4861 1.0884 C.ar 1 UNK -0.0576 22 C18 5.5928 0.4115 -1.2458 C.ar 1 UNK -0.0576 23 C19 8.0951 -0.8992 -0.7535 C.3 1 UNK -0.0560 24 C20 8.0198 0.3322 1.4050 C.3 1 UNK -0.0560 25 C21 6.8913 -1.9060 1.1750 C.3 1 UNK -0.0560 26 C22 -5.3360 2.2404 1.1670 C.ar 1 UNK -0.0429 27 C23 -5.9170 0.9725 -0.8059 C.ar 1 UNK -0.0429 28 C24 -3.6602 -3.9953 0.8102 C.ar 1 UNK -0.0613 29 C25 -2.7508 -3.5914 -1.3914 C.ar 1 UNK -0.0613 30 C26 -6.2051 1.9886 0.1053 C.ar 1 UNK 0.0410 31 C27 -3.3130 -4.4619 -0.4576 C.ar 1 UNK -0.0617 32 H -1.6846 0.1315 -1.1404 H 1 UNK 0.2048 33 H1 1.2478 1.5965 0.7651 H 1 UNK 0.2041 34 H2 -1.2108 1.7461 1.2395 H 1 UNK 0.0868 35 H3 -2.2448 2.1572 -0.1208 H 1 UNK 0.0868 36 H4 -0.3931 -1.5383 -0.1111 H 1 UNK 0.0868 37 H5 -0.1023 -0.4453 1.2337 H 1 UNK 0.0868 38 H6 -0.3355 2.1927 -1.6079 H 1 UNK 0.0868 39 H7 -0.0426 3.2608 -0.2432 H 1 UNK 0.0868 40 H8 1.8089 -0.4346 -0.2701 H 1 UNK 0.0868 41 H9 0.7571 -0.0094 -1.6122 H 1 UNK 0.0868 42 H10 -2.4025 -0.3362 1.6074 H 1 UNK 0.0958 43 H11 2.2932 3.1220 -0.6923 H 1 UNK 0.0867 44 H12 2.0540 1.9548 -1.9943 H 1 UNK 0.0867 45 H13 3.1055 1.3874 1.4868 H 1 UNK 0.0622 46 H14 4.1814 1.2580 -2.5697 H 1 UNK 0.0622 47 H15 -3.5298 1.6555 2.0995 H 1 UNK 0.0623 48 H16 -4.5385 -0.5455 -1.3246 H 1 UNK 0.0623 49 H17 -3.6995 -2.3039 2.0796 H 1 UNK 0.0622 50 H18 -2.1205 -1.6030 -1.7419 H 1 UNK 0.0622 51 H19 5.1865 0.2783 2.0766 H 1 UNK 0.0621 52 H20 6.2637 0.1485 -1.9846 H 1 UNK 0.0621 53 H21 8.3207 -0.0074 -1.3000 H 1 UNK 0.0238 54 H22 7.6033 -1.5976 -1.3979 H 1 UNK 0.0238 55 H23 9.0023 -1.3311 -0.3855 H 1 UNK 0.0238 56 H24 8.2213 1.2728 0.9365 H 1 UNK 0.0238 57 H25 8.9428 -0.1665 1.6153 H 1 UNK 0.0238 58 H26 7.4865 0.4956 2.3181 H 1 UNK 0.0238 59 H27 6.3002 -2.5373 0.5449 H 1 UNK 0.0238 60 H28 6.3673 -1.7242 2.0900 H 1 UNK 0.0238 61 H29 7.8236 -2.3862 1.3872 H 1 UNK 0.0238 62 H30 -5.5492 2.9920 1.8412 H 1 UNK 0.0632 63 H31 -6.5599 0.7861 -1.5913 H 1 UNK 0.0632 64 H32 -4.0759 -4.6394 1.5011 H 1 UNK 0.0618 65 H33 -2.4938 -3.9367 -2.3294 H 1 UNK 0.0618 66 H34 -3.4720 -5.4512 -0.7048 H 1 UNK 0.0618 @BOND 1 1 30 1 2 2 4 1 3 2 5 1 4 2 8 1 5 3 6 1 6 3 7 1 7 3 9 1 8 4 6 1 9 5 7 1 10 8 10 1 11 8 11 1 12 9 12 1 13 10 17 ar 14 10 18 ar 15 11 19 ar 16 11 20 ar 17 12 15 ar 18 12 16 ar 19 13 14 1 20 13 23 1 21 13 24 1 22 13 25 1 23 14 21 ar 24 14 22 ar 25 15 21 ar 26 16 22 ar 27 17 26 ar 28 18 27 ar 29 19 28 ar 30 20 29 ar 31 26 30 ar 32 27 30 ar 33 28 31 ar 34 29 31 ar 35 2 32 1 36 3 33 1 37 4 34 1 38 4 35 1 39 5 36 1 40 5 37 1 41 6 38 1 42 6 39 1 43 7 40 1 44 7 41 1 45 8 42 1 46 9 43 1 47 9 44 1 48 15 45 1 49 16 46 1 50 17 47 1 51 18 48 1 52 19 49 1 53 20 50 1 54 21 51 1 55 22 52 1 56 23 53 1 57 23 54 1 58 23 55 1 59 24 56 1 60 24 57 1 61 24 58 1 62 25 59 1 63 25 60 1 64 25 61 1 65 26 62 1 66 27 63 1 67 28 64 1 68 29 65 1 69 31 66 1