@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4043
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -4.2849     4.0167     1.7838	Cl	1	noname	-0.0854
2	C1    -3.2910     2.7808     1.1949	C.2	1	noname	-0.0132
3	C2    -1.9530     2.6868     1.6329	C.2	1	noname	-0.0103
4	C3    -3.8010     1.8458     0.2669	C.2	1	noname	-0.0192
5	C4    -1.1451     1.6539     1.1270	C.2	1	noname	-0.0136
6	C5    -2.9841     0.8119    -0.2289	C.2	1	noname	-0.0252
7	C6    -1.6531     0.7300     0.2150	C.2	1	noname	-0.0085
8	C7     0.2568     1.3520     1.4320	C.3	1	noname	0.1054
9	N1    -0.6962    -0.1599    -0.0979	N.3	1	noname	-0.1661
10	C8     0.4237     0.1540     0.5931	C.2	1	noname	0.0746
11	C9     1.1887     2.4290     1.0571	C.2	1	noname	0.1359
12	C10    -0.8432    -1.2498    -1.0008	C.3	1	noname	-0.0029
13	S1     1.9037    -0.7389     0.5071	S.2	1	noname	-0.1126
14	O1     1.9356     2.8900     1.9501	O.2	1	noname	-0.2712
15	N2     1.2287     2.8820    -0.2257	N.3	1	noname	-0.1369
16	C11     2.0366     3.8521    -0.7267	C.2	1	noname	-0.0224
17	C12     2.4046     5.0121    -0.0107	C.2	1	noname	-0.0365
18	C13     2.4856     3.6992    -2.0537	C.2	1	noname	-0.0365
19	C14     3.2255     5.9872    -0.6036	C.2	1	noname	-0.0545
20	C15     3.3056     4.6732    -2.6486	C.2	1	noname	-0.0545
21	C16     3.6775     5.8172    -1.9225	C.2	1	noname	-0.0622
22	H1    -1.5700     3.3539     2.3050	H	1	noname	0.0642
23	H2    -4.7701     1.9109    -0.0519	H	1	noname	0.0638
24	H3    -3.3531     0.1349    -0.8968	H	1	noname	0.0640
25	H4     0.3687     1.0900     2.4850	H	1	noname	0.0518
26	H5    -1.1043    -0.8727    -1.9907	H	1	noname	0.0402
27	H6    -1.6363    -1.9118    -0.6508	H	1	noname	0.0402
28	H7     0.0806    -1.8247    -1.0798	H	1	noname	0.0402
29	H8     0.6477     2.4311    -0.8577	H	1	noname	0.1371
30	H9     2.0725     5.1562     0.9433	H	1	noname	0.0639
31	H10     2.2196     2.8732    -2.5906	H	1	noname	0.0639
32	H11     3.4895     6.8202    -0.0776	H	1	noname	0.0623
33	H12     3.6305     4.5503    -3.6076	H	1	noname	0.0623
34	H13     4.2724     6.5252    -2.3545	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	22	1
6	4	6	2
7	4	23	1
8	5	7	2
9	5	8	1
10	6	7	1
11	6	24	1
12	7	9	1
13	8	10	1
14	8	11	1
15	8	25	1
16	9	12	1
17	9	10	1
18	10	13	2
19	11	14	2
20	11	15	1
21	12	26	1
22	12	27	1
23	12	28	1
24	15	16	1
25	15	29	1
26	16	17	2
27	16	18	1
28	17	19	1
29	17	30	1
30	18	20	2
31	18	31	1
32	19	21	2
33	19	32	1
34	20	21	1
35	20	33	1
36	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1