@<TRIPOS>MOLECULE
118984414
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.5408    -4.8341    -2.5098	Cl	1	noname	-0.0845
2	O1     3.7617    -1.0784     0.6744	O.3	1	noname	-0.3657
3	N1     6.4827     0.4112     2.6654	N.3	1	noname	-0.3070
4	N2     1.2174    -0.2890     1.8935	N.2	1	noname	-0.2402
5	C1     2.6979    -0.5089    -0.0742	C.3	1	noname	0.1246
6	C2     4.5377    -0.0421     1.2580	C.3	1	noname	0.0608
7	C3     1.9002    -1.5743    -0.6742	C.2	1	noname	-0.0357
8	C4     5.6838    -0.6557     2.0646	C.3	1	noname	0.0212
9	C5     1.8551     0.2916     0.8093	C.2	1	noname	0.0182
10	C6     2.4900    -2.4709    -1.5575	C.2	1	noname	-0.0368
11	C7     0.5508    -1.6920    -0.3621	C.2	1	noname	-0.0368
12	C8     1.6715     1.6953     0.5710	C.2	1	noname	-0.0122
13	C9     7.5780    -0.1752     3.4362	C.3	1	noname	-0.0135
14	C10     5.6388     1.2128     3.5501	C.3	1	noname	-0.0135
15	C11     1.7305    -3.4853    -2.1287	C.2	1	noname	-0.0232
16	C12    -0.2088    -2.7064    -0.9333	C.2	1	noname	-0.0232
17	C13     0.3811    -3.6030    -1.8166	C.2	1	noname	-0.0119
18	C14     0.8331     2.4219     1.4744	C.2	1	noname	-0.0375
19	C15     0.4010     0.3906     2.7828	C.2	1	noname	0.0006
20	C16     0.1863     1.7964     2.5868	C.2	1	noname	-0.0259
21	H1     3.1062     0.1261    -0.8605	H	1	noname	0.0723
22	H2     3.9084     0.5555     1.9175	H	1	noname	0.0580
23	H3     4.9459     0.5928     0.4717	H	1	noname	0.0580
24	H4     5.2756    -1.2907     2.8509	H	1	noname	0.0454
25	H5     6.3131    -1.2533     1.4050	H	1	noname	0.0454
26	H6     3.4802    -2.3845    -1.7865	H	1	noname	0.0627
27	H7     0.1179    -1.0341     0.2861	H	1	noname	0.0627
28	H8     2.1240     2.1595    -0.2165	H	1	noname	0.0642
29	H9     6.2344     2.0082     3.9980	H	1	noname	0.0394
30	H10     8.1736     0.6203     3.8841	H	1	noname	0.0394
31	H11     4.8222     1.6499     2.9754	H	1	noname	0.0394
32	H12     5.2305     0.5778     4.3364	H	1	noname	0.0394
33	H13     7.1697    -0.8101     4.2224	H	1	noname	0.0394
34	H14     8.2072    -0.7728     2.7766	H	1	noname	0.0394
35	H15     2.1633    -4.1432    -2.7769	H	1	noname	0.0638
36	H16    -1.1990    -2.7928    -0.7043	H	1	noname	0.0638
37	H17     0.6915     3.4201     1.3201	H	1	noname	0.0623
38	H18    -0.0392    -0.0987     3.5621	H	1	noname	0.0839
39	H19    -0.4079     2.3318     3.2198	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	17	1
2	5	2	1
3	2	6	1
4	3	8	1
5	3	13	1
6	3	14	1
7	4	9	1
8	4	19	2
9	5	7	1
10	5	9	1
11	5	21	1
12	6	8	1
13	6	22	1
14	6	23	1
15	7	10	2
16	7	11	1
17	8	24	1
18	8	25	1
19	9	12	2
20	10	15	1
21	10	26	1
22	11	16	2
23	11	27	1
24	12	18	1
25	12	28	1
26	13	30	1
27	13	33	1
28	13	34	1
29	14	29	1
30	14	31	1
31	14	32	1
32	15	17	2
33	15	35	1
34	16	17	1
35	16	36	1
36	18	20	2
37	18	37	1
38	19	20	1
39	19	38	1
40	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1