@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4050
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.6871     2.3092     4.8002	Cl	1	noname	-0.0766
2	C1     3.1011     2.6122     3.9053	C.2	1	noname	0.0159
3	C2     3.2920     2.1603     2.5703	C.2	1	noname	0.0269
4	C3     4.1120     3.3523     4.5493	C.2	1	noname	-0.0208
5	C4     2.2800     1.4133     1.9114	C.2	1	noname	0.0606
6	C5     4.5129     2.4643     1.9064	C.2	1	noname	0.0159
7	C6     5.3100     3.6474     3.8844	C.2	1	noname	-0.0360
8	C7     2.2189    -0.0045     2.0014	C.2	1	noname	0.1103
9	C8     1.3069     2.0804     1.1535	C.2	1	noname	0.0176
10	Cl2     4.8559     1.9744     0.3144	Cl	1	noname	-0.0766
11	C9     5.5089     3.2054     2.5694	C.2	1	noname	-0.0208
12	O1     3.0769    -0.6114     2.6845	O.2	1	noname	-0.2728
13	N1     1.2218    -0.7125     1.3564	N.3	1	noname	-0.1003
14	C10     0.2949     1.3544     0.4965	C.2	1	noname	0.0071
15	C11     0.2668    -0.0544     0.6085	C.2	1	noname	0.0574
16	C12     1.1708    -2.1454     1.4635	C.3	1	noname	0.0098
17	C13    -0.7021     1.9725    -0.2764	C.2	1	noname	0.0248
18	N2    -0.7122    -0.7424    -0.0354	N.2	1	noname	-0.2119
19	C14     0.0637    -2.5883     2.4325	C.3	1	noname	-0.0515
20	N3    -1.6482     1.2215    -0.8883	N.2	1	noname	-0.2385
21	C15    -1.6612    -0.1253    -0.7743	C.2	1	noname	0.0860
22	N4    -2.6053    -0.8433    -1.3893	N.3	1	noname	-0.0800
23	H1     3.9850     3.6823     5.5074	H	1	noname	0.0638
24	H2     6.0369     4.1844     4.3584	H	1	noname	0.0623
25	H3     1.3309     3.1004     1.0765	H	1	noname	0.0638
26	H4     6.3888     3.4304     2.1025	H	1	noname	0.0638
27	H5     0.9897    -2.5903     0.4835	H	1	noname	0.0437
28	H6     2.1127    -2.5563     1.8325	H	1	noname	0.0437
29	H7    -0.7211     2.9875    -0.3833	H	1	noname	0.0848
30	H8     0.0746    -3.6753     2.5205	H	1	noname	0.0244
31	H9     0.2396    -2.1483     3.4146	H	1	noname	0.0244
32	H10    -0.9122    -2.2713     2.0646	H	1	noname	0.0244
33	H11    -2.6093    -1.8082    -1.3052	H	1	noname	0.1273
34	H12    -3.2843    -0.3963    -1.9172	H	1	noname	0.1273
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	23	1
8	5	8	1
9	5	9	2
10	6	10	1
11	6	11	2
12	7	11	1
13	7	24	1
14	8	12	2
15	8	13	1
16	9	14	1
17	9	25	1
18	11	26	1
19	13	15	1
20	13	16	1
21	14	17	1
22	14	15	2
23	15	18	1
24	16	19	1
25	16	27	1
26	16	28	1
27	17	20	2
28	17	29	1
29	18	21	2
30	19	30	1
31	19	31	1
32	19	32	1
33	20	21	1
34	21	22	1
35	22	33	1
36	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1