@MOLECULE FDBD00997 66 69 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -6.4204 2.9267 -0.6182 Cl 1 UNK -0.0835 2 O 4.0806 -0.4335 2.1910 O.2 1 UNK -0.1729 3 O1 3.2695 2.2603 0.8260 O.3 1 UNK -0.4882 4 N -0.9159 -2.4254 0.3892 N.4 1 UNK 0.2376 5 N1 -3.4651 -1.2188 -0.0629 N.pl3 1 UNK -0.3197 6 N2 3.4254 -1.9780 0.5405 N.am 1 UNK 0.1124 7 N3 4.4747 -0.1445 -0.0998 N.am 1 UNK -0.0864 8 N4 3.5353 -2.0383 -0.8237 N.2 1 UNK 0.2222 9 C -1.6962 -2.7630 -0.8075 C.3 1 UNK -0.0158 10 C1 -1.1497 -1.0239 0.7589 C.3 1 UNK -0.0158 11 C2 -3.1945 -2.5714 -0.5595 C.3 1 UNK 0.0525 12 C3 -2.6295 -0.7752 1.0600 C.3 1 UNK 0.0525 13 C4 0.5083 -2.6637 0.1571 C.3 1 UNK -0.0258 14 C5 1.2889 -2.7879 1.4688 C.3 1 UNK 0.0507 15 C6 2.7875 -3.0245 1.2913 C.3 1 UNK 0.2027 16 C7 -4.7526 -0.6825 -0.1764 C.ar 1 UNK 0.0314 17 C8 4.0074 -0.7967 1.0257 C.2 1 UNK 0.6225 18 C9 4.1544 -0.9394 -1.1425 C.cat 1 UNK 0.3730 19 C10 -4.9243 0.6941 -0.3215 C.ar 1 UNK -0.0223 20 C11 -5.8640 -1.5248 -0.1484 C.ar 1 UNK -0.0406 21 C12 5.1640 1.1319 -0.1205 C.3 1 UNK 0.1287 22 C13 4.5036 -0.5660 -2.5437 C.3 1 UNK 0.0554 23 C14 -6.2075 1.2284 -0.4386 C.ar 1 UNK 0.0427 24 C15 -7.1472 -0.9907 -0.2654 C.ar 1 UNK -0.0586 25 C16 4.1911 2.2889 -0.2562 C.3 1 UNK 0.1260 26 C17 -7.3189 0.3860 -0.4106 C.ar 1 UNK -0.0433 27 C18 5.8747 -1.0965 -2.9092 C.3 1 UNK -0.0541 28 C19 2.0143 2.7532 0.5815 C.ar 1 UNK 0.1207 29 C20 1.8342 3.7673 -0.3590 C.ar 1 UNK -0.0199 30 C21 0.9170 2.2407 1.2733 C.ar 1 UNK -0.0199 31 C22 0.5566 4.2689 -0.6078 C.ar 1 UNK -0.0583 32 C23 -0.3606 2.7422 1.0244 C.ar 1 UNK -0.0583 33 C24 -0.5409 3.7563 0.0839 C.ar 1 UNK -0.0615 34 H -1.2173 -3.0237 1.1584 H 1 UNK 0.2034 35 H1 -1.5127 -3.7845 -1.0678 H 1 UNK 0.0830 36 H2 -1.3972 -2.1131 -1.6032 H 1 UNK 0.0830 37 H3 -0.8466 -0.3933 -0.0507 H 1 UNK 0.0830 38 H4 -0.5814 -0.8042 1.6385 H 1 UNK 0.0830 39 H5 -3.7251 -2.7224 -1.4763 H 1 UNK 0.0516 40 H6 -3.5166 -3.2799 0.1747 H 1 UNK 0.0516 41 H7 -2.9056 -1.3176 1.9400 H 1 UNK 0.0516 42 H8 -2.7803 0.2734 1.2101 H 1 UNK 0.0516 43 H9 0.9080 -1.8471 -0.4071 H 1 UNK 0.0816 44 H10 0.6071 -3.5864 -0.3757 H 1 UNK 0.0816 45 H11 0.8838 -3.6088 2.0229 H 1 UNK 0.0380 46 H12 1.1856 -1.8512 1.9755 H 1 UNK 0.0380 47 H13 3.2429 -3.0797 2.2580 H 1 UNK 0.1071 48 H14 2.9100 -3.9368 0.7457 H 1 UNK 0.1071 49 H15 -4.1020 1.3173 -0.3422 H 1 UNK 0.0651 50 H16 -5.7369 -2.5433 -0.0411 H 1 UNK 0.0636 51 H17 5.8407 1.1479 -0.9492 H 1 UNK 0.0767 52 H18 5.6905 1.2435 0.8043 H 1 UNK 0.0767 53 H19 4.5031 0.5002 -2.6343 H 1 UNK 0.0386 54 H20 3.7798 -0.9933 -3.2059 H 1 UNK 0.0386 55 H21 -7.9695 -1.6140 -0.2445 H 1 UNK 0.0619 56 H22 4.7307 3.2127 -0.2412 H 1 UNK 0.0735 57 H23 3.6595 2.2023 -1.1808 H 1 UNK 0.0735 58 H24 -8.2683 0.7813 -0.4973 H 1 UNK 0.0632 59 H25 6.6069 -0.6751 -2.2525 H 1 UNK 0.0235 60 H26 6.1039 -0.8268 -3.9190 H 1 UNK 0.0235 61 H27 5.8817 -2.1623 -2.8143 H 1 UNK 0.0235 62 H28 2.6461 4.1465 -0.8708 H 1 UNK 0.0654 63 H29 1.0503 1.4905 1.9693 H 1 UNK 0.0654 64 H30 0.4234 5.0193 -1.3036 H 1 UNK 0.0619 65 H31 -1.1725 2.3629 1.5362 H 1 UNK 0.0619 66 H32 -1.4861 4.1273 -0.1002 H 1 UNK 0.0618 @BOND 1 1 23 1 2 2 17 2 3 3 25 1 4 3 28 1 5 4 9 1 6 4 10 1 7 4 13 1 8 5 11 1 9 5 12 1 10 5 16 1 11 6 8 1 12 6 15 1 13 6 17 am 14 7 17 am 15 7 18 1 16 7 21 1 17 8 18 2 18 9 11 1 19 10 12 1 20 13 14 1 21 14 15 1 22 16 19 ar 23 16 20 ar 24 18 22 1 25 19 23 ar 26 20 24 ar 27 21 25 1 28 22 27 1 29 23 26 ar 30 24 26 ar 31 28 29 ar 32 28 30 ar 33 29 31 ar 34 30 32 ar 35 31 33 ar 36 32 33 ar 37 4 34 1 38 9 35 1 39 9 36 1 40 10 37 1 41 10 38 1 42 11 39 1 43 11 40 1 44 12 41 1 45 12 42 1 46 13 43 1 47 13 44 1 48 14 45 1 49 14 46 1 50 15 47 1 51 15 48 1 52 19 49 1 53 20 50 1 54 21 51 1 55 21 52 1 56 22 53 1 57 22 54 1 58 24 55 1 59 25 56 1 60 25 57 1 61 26 58 1 62 27 59 1 63 27 60 1 64 27 61 1 65 29 62 1 66 30 63 1 67 31 64 1 68 32 65 1 69 33 66 1