@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3861
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -4.1399     3.0818     0.6158	Cl	1	noname	-0.0818
2	C1    -2.9950     1.8369     0.6038	C.2	1	noname	0.0021
3	C2    -1.6501     2.1239     0.2839	C.2	1	noname	0.0029
4	C3    -3.3850     0.5149     0.9159	C.2	1	noname	-0.0100
5	C4    -0.7122     1.0720     0.2729	C.2	1	noname	-0.0380
6	C5    -2.4391    -0.5279     0.9189	C.2	1	noname	-0.0001
7	N1     0.6127     1.0400     0.0170	N.3	1	noname	-0.0156
8	C6    -1.1072    -0.2228     0.5990	C.2	1	noname	0.0141
9	C7     1.4436     2.0650    -0.3599	C.2	1	noname	-0.0235
10	C8     0.9896    -0.2458     0.2060	C.2	1	noname	-0.0321
11	N2    -0.0443    -1.0327     0.5540	N.2	1	noname	-0.2287
12	C9     2.7445     2.1730     0.1820	C.2	1	noname	-0.0546
13	C10     1.0366     3.0240    -1.3148	C.2	1	noname	-0.0546
14	C11     3.6044     3.2160    -0.2028	C.2	1	noname	-0.0619
15	C12     1.8945     4.0670    -1.7038	C.2	1	noname	-0.0619
16	C13     3.1784     4.1651    -1.1447	C.2	1	noname	-0.0849
17	H1    -1.3592     3.0779     0.0719	H	1	noname	0.0659
18	H2    -4.3580     0.3060     1.1469	H	1	noname	0.0638
19	H3    -2.7141    -1.4818     1.1519	H	1	noname	0.0646
20	H4     1.9425    -0.5938     0.0850	H	1	noname	0.1019
21	H5     3.0684     1.4941     0.8720	H	1	noname	0.0642
22	H6     0.1146     2.9590    -1.7458	H	1	noname	0.0642
23	H7     4.5383     3.2831     0.2031	H	1	noname	0.0623
24	H8     1.5855     4.7510    -2.3947	H	1	noname	0.0623
25	H9     3.8023     4.9221    -1.4257	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	17	1
6	4	6	2
7	4	18	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	19	1
12	7	9	1
13	7	10	1
14	8	11	1
15	9	12	2
16	9	13	1
17	10	11	2
18	10	20	1
19	12	14	1
20	12	21	1
21	13	15	2
22	13	22	1
23	14	16	2
24	14	23	1
25	15	16	1
26	15	24	1
27	16	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1