@<TRIPOS>MOLECULE
DB03023
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -6.1276     1.9864     0.2042	Cl	1	noname	-0.0813
2	C1    -4.4597     1.9996    -0.0485	C.2	1	noname	0.0125
3	C2    -3.6937     0.8963     0.3097	C.2	1	noname	-0.0134
4	C3    -3.8513     3.1137    -0.6149	C.2	1	noname	-0.0134
5	C4    -2.3194     0.9072     0.1014	C.2	1	noname	0.0030
6	C5    -2.4771     3.1246    -0.8231	C.2	1	noname	0.0030
7	C6    -1.7111     2.0213    -0.4649	C.2	1	noname	-0.0077
8	C7    -0.3368     2.0322    -0.6732	C.2	1	noname	0.1960
9	N1     0.6204     1.3964     0.0416	N.2	1	noname	-0.1010
10	C8     0.3722     2.6965    -1.6608	C.2	1	noname	0.0363
11	N2     1.8305     1.6375    -0.3908	N.3	1	noname	0.1154
12	C9    -0.0175     3.4563    -2.7829	C.2	1	noname	0.0856
13	C10     1.7330     2.4263    -1.4705	C.2	1	noname	0.1563
14	C11     3.0265     1.1537     0.1780	C.3	1	noname	0.0287
15	N3     0.9921     3.8164    -3.6501	N.2	1	noname	-0.2496
16	N4    -1.2933     3.8075    -2.9939	N.3	1	noname	-0.1055
17	N5     2.7011     2.8743    -2.3370	N.2	1	noname	-0.2243
18	C12     3.0183    -0.3762     0.1579	C.3	1	noname	-0.0388
19	C13     3.1391     1.6441     1.6228	C.3	1	noname	-0.0388
20	C14     4.2198     1.6680    -0.6297	C.3	1	noname	-0.0388
21	C15     2.3250     3.5535    -3.4689	C.2	1	noname	0.0734
22	H1    -4.1708     0.0227     0.7538	H	1	noname	0.0638
23	H2    -4.4520     3.9788    -0.8957	H	1	noname	0.0638
24	H3    -1.7188     0.0421     0.3823	H	1	noname	0.0631
25	H4    -2.0000     3.9982    -1.2672	H	1	noname	0.0631
26	H5     0.4462     0.7921     0.8319	H	1	noname	0.3176
27	H6    -1.5420     4.7832    -3.0734	H	1	noname	0.1258
28	H7    -2.0063     3.0966    -3.0734	H	1	noname	0.1258
29	H8     3.0163    -0.7530     1.1807	H	1	noname	0.0254
30	H9     2.1265    -0.7280    -0.3607	H	1	noname	0.0254
31	H10     3.9064    -0.7375    -0.3607	H	1	noname	0.0254
32	H11     3.1914     0.7872     2.2944	H	1	noname	0.0254
33	H12     4.0403     2.2473     1.7326	H	1	noname	0.0254
34	H13     2.2657     2.2473     1.8709	H	1	noname	0.0254
35	H14     5.0014     2.0048     0.0513	H	1	noname	0.0254
36	H15     4.6064     0.8654    -1.2579	H	1	noname	0.0254
37	H16     3.9019     2.5001    -1.2579	H	1	noname	0.0254
38	H17     3.0638     3.8750    -4.2030	H	1	noname	0.1062
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	2
10	8	10	1
11	9	11	1
12	10	12	2
13	10	13	1
14	11	14	1
15	11	13	1
16	12	15	1
17	12	16	1
18	13	17	2
19	14	18	1
20	14	19	1
21	14	20	1
22	15	21	2
23	17	21	1
24	3	22	1
25	4	23	1
26	5	24	1
27	6	25	1
28	9	26	1
29	16	27	1
30	16	28	1
31	18	29	1
32	18	30	1
33	18	31	1
34	19	32	1
35	19	33	1
36	19	34	1
37	20	35	1
38	20	36	1
39	20	37	1
40	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1