@<TRIPOS>MOLECULE
56843312
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.2665     2.6981    -1.3214	Cl	1	noname	-0.0237
2	O1     6.1777     2.2919     0.1026	O.3	1	noname	-0.2758
3	N1     1.3708    -0.2059     0.1512	N.3	1	noname	0.0238
4	N2     4.3552    -1.1726    -1.3414	N.2	1	noname	-0.2733
5	N3    -0.1183     1.4213     0.6013	N.2	1	noname	-0.2207
6	N4     0.5944    -0.6332    -2.1516	N.2	1	noname	-0.2271
7	N5    -1.1707     0.7883    -2.8398	N.2	1	noname	-0.2340
8	N6    -0.3613    -0.8718    -4.2637	N.3	1	noname	-0.0791
9	C1     2.4862    -1.1298     0.2734	C.3	1	noname	0.0192
10	C2     3.7894    -0.5807    -0.2631	C.2	1	noname	-0.0034
11	C3     4.4631     0.5372     0.2991	C.2	1	noname	0.0010
12	C4     0.6149     0.0042    -0.9507	C.2	1	noname	0.1267
13	C5     5.6117     1.0958    -0.3370	C.2	1	noname	0.0007
14	C6     6.1831     0.3955    -1.4372	C.2	1	noname	-0.0077
15	C7    -0.2848     1.0247    -0.6682	C.2	1	noname	0.0164
16	C8     0.8197     0.6094     1.0924	C.2	1	noname	-0.0395
17	C9     4.0158     1.1119     1.5694	C.3	1	noname	0.0196
18	C10     5.5199    -0.7563    -1.9122	C.2	1	noname	-0.0147
19	C11     7.4497     0.8375    -2.0808	C.3	1	noname	0.0170
20	C12    -1.1845     1.4540    -1.6511	C.2	1	noname	0.0851
21	C13    -0.3155    -0.2395    -3.0877	C.2	1	noname	0.0877
22	C14     5.5683     3.4581    -0.4943	C.3	1	noname	0.0423
23	H1     2.2195    -2.0710    -0.2234	H	1	noname	0.0540
24	H2     2.6298    -1.3971     1.3259	H	1	noname	0.0540
25	H3     1.1174     0.6647     2.0667	H	1	noname	0.1016
26	H4     3.1278     1.7089     1.3283	H	1	noname	0.0281
27	H5     3.7395     0.3098     2.2538	H	1	noname	0.0281
28	H6     4.7605     1.8000     1.9694	H	1	noname	0.0281
29	H7     5.9016    -1.3238    -2.6807	H	1	noname	0.0843
30	H8     7.2648     1.0602    -3.1317	H	1	noname	0.0281
31	H9     7.8192     1.7320    -1.5794	H	1	noname	0.0281
32	H10     8.1930     0.0441    -2.0029	H	1	noname	0.0281
33	H11     6.0523     4.3569    -0.1121	H	1	noname	0.0535
34	H12     4.5077     3.4822    -0.2439	H	1	noname	0.0535
35	H13     5.6850     3.4151    -1.5772	H	1	noname	0.0535
36	H14    -1.0551    -0.4782    -4.8156	H	1	noname	0.1273
37	H15    -0.5573    -1.8106    -4.1186	H	1	noname	0.1273
@<TRIPOS>BOND
1	1	20	1
2	2	13	1
3	2	22	1
4	3	9	1
5	3	12	1
6	3	16	1
7	4	10	2
8	4	18	1
9	5	15	1
10	5	16	2
11	6	12	1
12	6	21	2
13	7	20	2
14	7	21	1
15	8	21	1
16	8	36	1
17	8	37	1
18	9	10	1
19	9	23	1
20	9	24	1
21	10	11	1
22	11	13	2
23	11	17	1
24	12	15	2
25	13	14	1
26	14	18	2
27	14	19	1
28	15	20	1
29	16	25	1
30	17	26	1
31	17	27	1
32	17	28	1
33	18	29	1
34	19	30	1
35	19	31	1
36	19	32	1
37	22	33	1
38	22	34	1
39	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1