@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3811
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.4962     5.1995    -2.8177	Cl	1	noname	-0.0834
2	C1     1.9931     4.0395    -1.6907	C.2	1	noname	-0.0133
3	C2     1.1191     3.0046    -1.3096	C.2	1	noname	-0.0212
4	C3     3.2831     4.1046    -1.1336	C.2	1	noname	-0.0510
5	C4     1.5131     2.0266    -0.3676	C.2	1	noname	-0.0132
6	C5     3.6940     3.1356    -0.2056	C.2	1	noname	-0.0515
7	N1     0.6671     1.0117     0.0003	N.3	1	noname	-0.0175
8	C6     2.8170     2.1047     0.1713	C.2	1	noname	-0.0505
9	C7    -0.6568     1.0617     0.2593	C.2	1	noname	-0.0474
10	C8     1.0240    -0.2831     0.1753	C.2	1	noname	-0.0321
11	C9    -1.0728    -0.2311     0.5734	C.2	1	noname	0.0113
12	C10    -1.5798     2.1268     0.2824	C.2	1	noname	-0.0304
13	N2    -0.0219    -1.0571     0.5183	N.2	1	noname	-0.2288
14	C11    -2.4078    -0.5180     0.8934	C.2	1	noname	-0.0105
15	C12    -2.9248     1.8548     0.6014	C.2	1	noname	-0.0469
16	C13    -3.3379     0.5399     0.9024	C.2	1	noname	-0.0439
17	H1     0.1911     2.9496    -1.7316	H	1	noname	0.0658
18	H2     3.9270     4.8496    -1.4016	H	1	noname	0.0638
19	H3     4.6309     3.1807     0.1973	H	1	noname	0.0623
20	H4     3.1320     1.4117     0.8513	H	1	noname	0.0642
21	H5     1.9710    -0.6451     0.0484	H	1	noname	0.1019
22	H6    -1.2869     3.0818     0.0794	H	1	noname	0.0643
23	H7    -2.6969    -1.4710     1.1184	H	1	noname	0.0645
24	H8    -3.6059     2.6148     0.6184	H	1	noname	0.0623
25	H9    -4.3149     0.3539     1.1315	H	1	noname	0.0623
@<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	20	1
15	9	11	2
16	9	12	1
17	10	13	2
18	10	21	1
19	11	14	1
20	11	13	1
21	12	15	2
22	12	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