@<TRIPOS>MOLECULE
FDBD00145
43 46 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 Cl 0.6462 -0.1889 2.7630 Cl 1 UNK -0.0830
2 N -0.4392 -0.0896 -1.7148 N.ar 1 UNK -0.1693
3 N1 -1.1342 -0.9044 -3.5599 N.ar 1 UNK -0.3096
4 C -0.1541 0.0030 -0.2084 C.3 1 UNK 0.2487
5 C1 0.9178 -1.1183 0.2107 C.ar 1 UNK 0.0512
6 C2 -1.4994 -0.0743 0.4304 C.ar 1 UNK 0.0330
7 C3 0.7245 1.3132 0.0975 C.ar 1 UNK 0.0330
8 C4 1.2608 -1.1960 1.5031 C.ar 1 UNK 0.0514
9 C5 1.3571 -1.8700 -0.8149 C.ar 1 UNK -0.0499
10 C6 -2.4572 0.9030 0.1595 C.ar 1 UNK -0.0513
11 C7 0.1559 2.2192 0.9061 C.ar 1 UNK -0.0513
12 C8 -1.8001 -1.1236 1.2987 C.ar 1 UNK -0.0513
13 C9 1.9290 1.3563 -0.4896 C.ar 1 UNK -0.0513
14 C10 -0.1081 0.8548 -2.5651 C.ar 1 UNK 0.1901
15 C11 -1.0359 -1.1218 -2.2673 C.ar 1 UNK 0.2466
16 C12 -0.5572 0.3259 -3.7523 C.ar 1 UNK 0.0704
17 C13 2.1925 -2.1817 1.8284 C.ar 1 UNK -0.0429
18 C14 2.2889 -2.8556 -0.4897 C.ar 1 UNK -0.0612
19 C15 -3.7156 0.8308 0.7570 C.ar 1 UNK -0.0613
20 C16 0.9185 3.3566 1.1717 C.ar 1 UNK -0.0613
21 C17 -3.0584 -1.1959 1.8962 C.ar 1 UNK -0.0613
22 C18 2.6916 2.4937 -0.2240 C.ar 1 UNK -0.0613
23 C19 2.7066 -3.0115 0.8320 C.ar 1 UNK -0.0604
24 C20 -4.0162 -0.2187 1.6253 C.ar 1 UNK -0.0617
25 C21 2.1863 3.4938 0.6066 C.ar 1 UNK -0.0617
26 H -1.5335 -1.4939 -4.2398 H 1 UNK 0.1705
27 H1 1.0255 -1.7264 -1.7816 H 1 UNK 0.0623
28 H2 -2.2348 1.6794 -0.4829 H 1 UNK 0.0623
29 H3 -0.7856 2.0837 1.3063 H 1 UNK 0.0623
30 H4 -1.0915 -1.8466 1.4991 H 1 UNK 0.0623
31 H5 2.2702 0.5966 -1.0991 H 1 UNK 0.0623
32 H6 0.3641 1.7554 -2.3890 H 1 UNK 0.1393
33 H7 -1.3709 -1.9617 -1.7701 H 1 UNK 0.1599
34 H8 -0.4715 0.7931 -4.6685 H 1 UNK 0.0869
35 H9 2.5015 -2.2971 2.8063 H 1 UNK 0.0632
36 H10 2.6693 -3.4695 -1.2269 H 1 UNK 0.0618
37 H11 -4.4242 1.5538 0.5567 H 1 UNK 0.0618
38 H12 0.5447 4.0966 1.7863 H 1 UNK 0.0618
39 H13 -3.2807 -1.9723 2.5387 H 1 UNK 0.0618
40 H14 3.6297 2.5952 -0.6421 H 1 UNK 0.0618
41 H15 3.3960 -3.7408 1.0727 H 1 UNK 0.0618
42 H16 -4.9472 -0.2722 2.0673 H 1 UNK 0.0618
43 H17 2.7505 4.3353 0.8031 H 1 UNK 0.0618
@<TRIPOS>BOND
1 1 8 1
2 2 4 1
3 2 14 ar
4 2 15 ar
5 3 15 ar
6 3 16 ar
7 4 5 1
8 4 6 1
9 4 7 1
10 5 8 ar
11 5 9 ar
12 6 10 ar
13 6 12 ar
14 7 11 ar
15 7 13 ar
16 8 17 ar
17 9 18 ar
18 10 19 ar
19 11 20 ar
20 12 21 ar
21 13 22 ar
22 14 16 ar
23 17 23 ar
24 18 23 ar
25 19 24 ar
26 20 25 ar
27 21 24 ar
28 22 25 ar
29 3 26 1
30 9 27 1
31 10 28 1
32 11 29 1
33 12 30 1
34 13 31 1
35 14 32 1
36 15 33 1
37 16 34 1
38 17 35 1
39 18 36 1
40 19 37 1
41 20 38 1
42 21 39 1
43 22 40 1
44 23 41 1
45 24 42 1
46 25 43 1