@<TRIPOS>MOLECULE
FDBD00413
45 48 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 Cl 1.2937 -4.4320 1.0959 Cl 1 UNK -0.0835
2 N -1.4142 0.7674 0.1892 N.ar 1 UNK -0.1195
3 N1 -4.4188 -0.5750 -0.6161 N.4 1 UNK 0.2397
4 N2 1.3018 1.8747 1.0349 N.2 1 UNK -0.2699
5 N3 -2.9222 2.2778 -0.3549 N.ar 1 UNK -0.2160
6 N4 -1.9680 2.8873 0.4228 N.ar 1 UNK -0.1058
7 C -0.7182 -0.4535 0.3304 C.ar 1 UNK 0.2258
8 C1 -2.5950 1.0104 -0.4633 C.ar 1 UNK 0.3275
9 C2 -1.0857 1.9731 0.7668 C.ar 1 UNK 0.3255
10 C3 0.6588 -0.4939 0.6254 C.ar 1 UNK 0.0736
11 C4 -3.3294 0.0656 -1.3306 C.3 1 UNK 0.0741
12 C5 0.0430 2.1253 1.7102 C.3 1 UNK 0.1463
13 C6 1.5622 0.7039 0.5602 C.2 1 UNK 0.0797
14 C7 -1.4386 -1.6527 0.2070 C.ar 1 UNK 0.0123
15 C8 1.2644 -1.7372 0.8794 C.ar 1 UNK -0.0279
16 C9 2.8739 0.5583 -0.1387 C.ar 1 UNK 0.0007
17 C10 -0.8134 -2.8784 0.4377 C.ar 1 UNK -0.0371
18 C11 0.5310 -2.9199 0.7894 C.ar 1 UNK 0.0420
19 C12 -5.1375 -1.5088 -1.4886 C.3 1 UNK -0.0427
20 C13 -5.3469 0.4232 -0.0759 C.3 1 UNK -0.0427
21 C14 2.9931 -0.3419 -1.1886 C.ar 1 UNK -0.0526
22 C15 3.9558 1.3258 0.2706 C.ar 1 UNK -0.0526
23 C16 4.2180 -0.4778 -1.8417 C.ar 1 UNK -0.0611
24 C17 5.1807 1.1900 -0.3826 C.ar 1 UNK -0.0611
25 C18 5.3118 0.2882 -1.4388 C.ar 1 UNK -0.0617
26 H -4.0160 -1.0993 0.1606 H 1 UNK 0.2034
27 H1 -3.7085 2.7121 -0.7578 H 1 UNK 0.1948
28 H2 -3.7288 0.6000 -2.1671 H 1 UNK 0.0945
29 H3 -2.6476 -0.6931 -1.6539 H 1 UNK 0.0945
30 H4 0.0444 3.1214 2.1009 H 1 UNK 0.0637
31 H5 -0.0713 1.4192 2.5059 H 1 UNK 0.0637
32 H6 -2.4362 -1.6271 -0.0559 H 1 UNK 0.0684
33 H7 2.2634 -1.7749 1.1355 H 1 UNK 0.0641
34 H8 -1.3496 -3.7555 0.3472 H 1 UNK 0.0634
35 H9 -5.5661 -0.9722 -2.3091 H 1 UNK 0.0778
36 H10 -5.9145 -1.9904 -0.9325 H 1 UNK 0.0778
37 H11 -4.4563 -2.2452 -1.8609 H 1 UNK 0.0778
38 H12 -5.7779 0.9817 -0.8804 H 1 UNK 0.0778
39 H13 -4.8175 1.0867 0.5755 H 1 UNK 0.0778
40 H14 -6.1226 -0.0704 0.4714 H 1 UNK 0.0778
41 H15 2.1813 -0.9065 -1.4838 H 1 UNK 0.0624
42 H16 3.8546 1.9919 1.0523 H 1 UNK 0.0624
43 H17 4.3150 -1.1451 -2.6230 H 1 UNK 0.0618
44 H18 5.9900 1.7567 -0.0845 H 1 UNK 0.0618
45 H19 6.2181 0.1878 -1.9221 H 1 UNK 0.0618
@<TRIPOS>BOND
1 1 18 1
2 2 7 1
3 2 8 ar
4 2 9 ar
5 3 11 1
6 3 19 1
7 3 20 1
8 4 12 1
9 4 13 2
10 5 6 ar
11 5 8 ar
12 6 9 ar
13 7 10 ar
14 7 14 ar
15 8 11 1
16 9 12 1
17 10 13 1
18 10 15 ar
19 13 16 1
20 14 17 ar
21 15 18 ar
22 16 21 ar
23 16 22 ar
24 17 18 ar
25 21 23 ar
26 22 24 ar
27 23 25 ar
28 24 25 ar
29 3 26 1
30 5 27 1
31 11 28 1
32 11 29 1
33 12 30 1
34 12 31 1
35 14 32 1
36 15 33 1
37 17 34 1
38 19 35 1
39 19 36 1
40 19 37 1
41 20 38 1
42 20 39 1
43 20 40 1
44 21 41 1
45 22 42 1
46 23 43 1
47 24 44 1
48 25 45 1