@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439052
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     5.1802    -7.1166     2.6316	Cl	1	noname	-0.0700
2	C1     6.0232    -7.7576     1.2976	C.2	1	noname	0.0154
3	C2     6.1612    -6.9625     0.1326	C.2	1	noname	0.0085
4	C3     6.5702    -9.0706     1.3177	C.2	1	noname	0.0145
5	N1     5.6691    -5.7114     0.0496	N.3	1	noname	-0.1451
6	C4     6.8292    -7.4695    -0.9953	C.2	1	noname	-0.0412
7	C5     6.4932    -9.9266     2.4367	C.2	1	noname	0.0939
8	C6     7.2312    -9.5606     0.1697	C.2	1	noname	-0.0376
9	C7     7.3612    -8.7655    -0.9793	C.2	1	noname	-0.0485
10	O1     5.9771   -11.0576     2.2818	O.2	1	noname	-0.2755
11	N2     7.0101    -9.5025     3.6218	N.3	1	noname	-0.1357
12	C8     7.0561   -10.1385     4.8279	C.2	1	noname	-0.0021
13	C9     7.6601    -9.4165     5.8750	C.2	1	noname	-0.0020
14	C10     6.5520   -11.4305     5.1010	C.2	1	noname	-0.0020
15	C11     7.7501    -9.9844     7.1551	C.2	1	noname	0.0044
16	C12     6.6640   -11.9585     6.3971	C.2	1	noname	0.0044
17	N3     7.2530   -11.2265     7.3741	N.2	1	noname	-0.2555
18	H1     5.7861    -5.1954    -0.7633	H	1	noname	0.1243
19	H2     5.1931    -5.3243     0.8017	H	1	noname	0.1243
20	H3     6.9281    -6.8964    -1.8343	H	1	noname	0.0639
21	H4     7.6272   -10.5026     0.1627	H	1	noname	0.0631
22	H5     7.8422    -9.1304    -1.8013	H	1	noname	0.0623
23	H6     7.3971    -8.6135     3.6049	H	1	noname	0.1374
24	H7     8.0341    -8.4804     5.7120	H	1	noname	0.0655
25	H8     6.1060   -11.9925     4.3790	H	1	noname	0.0655
26	H9     8.1850    -9.4664     7.9192	H	1	noname	0.0839
27	H10     6.3019   -12.8895     6.6051	H	1	noname	0.0839
@<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	1
7	4	8	2
8	5	18	1
9	5	19	1
10	6	9	2
11	6	20	1
12	7	10	2
13	7	11	1
14	8	9	1
15	8	21	1
16	9	22	1
17	11	12	1
18	11	23	1
19	12	13	2
20	12	14	1
21	13	15	1
22	13	24	1
23	14	16	2
24	14	25	1
25	15	17	2
26	15	26	1
27	16	17	1
28	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1