@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4051
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     4.9052     1.7818     0.3561	Cl	1	noname	-0.0766
2	C1     4.5231     2.3598     1.9092	C.2	1	noname	0.0159
3	C2     3.2691     2.1339     2.5413	C.2	1	noname	0.0269
4	C3     5.5231     3.0959     2.5743	C.2	1	noname	-0.0208
5	C4     2.2560     1.3889     1.8823	C.2	1	noname	0.0606
6	C5     3.0470     2.6579     3.8453	C.2	1	noname	0.0159
7	C6     5.2940     3.6079     3.8583	C.2	1	noname	-0.0360
8	C7     2.1720    -0.0260     2.0014	C.2	1	noname	0.1104
9	C8     1.3129     2.0530     1.0844	C.2	1	noname	0.0176
10	Cl2     1.5930     2.4480     4.7004	Cl	1	noname	-0.0766
11	C9     4.0620     3.3900     4.4904	C.2	1	noname	-0.0208
12	O1     3.0170    -0.6319     2.7014	O.2	1	noname	-0.2727
13	N1     1.1839    -0.7339     1.3454	N.3	1	noname	-0.1002
14	C10     0.3079     1.3250     0.4164	C.2	1	noname	0.0071
15	C11     0.2569    -0.0798     0.5585	C.2	1	noname	0.0574
16	C12     1.1219    -2.1649     1.4705	C.3	1	noname	0.0124
17	C13    -0.6601     1.9391    -0.3955	C.2	1	noname	0.0248
18	N2    -0.7181    -0.7688    -0.0884	N.2	1	noname	-0.2119
19	C14     1.7198    -2.8469     0.2275	C.3	1	noname	-0.0423
20	N3    -1.6032     1.1861    -1.0114	N.2	1	noname	-0.2385
21	C15    -1.6401    -0.1567    -0.8653	C.2	1	noname	0.0860
22	C16     1.6628    -4.3728     0.3696	C.3	1	noname	-0.0641
23	N4    -2.5802    -0.8767    -1.4833	N.3	1	noname	-0.0800
24	H1     6.4280     3.2639     2.1313	H	1	noname	0.0638
25	H2     6.0239     4.1390     4.3343	H	1	noname	0.0623
26	H3     1.3549     3.0690     0.9834	H	1	noname	0.0638
27	H4     3.9139     3.7710     5.4274	H	1	noname	0.0638
28	H5     1.6749    -2.5139     2.3455	H	1	noname	0.0440
29	H6     0.0858    -2.4868     1.5975	H	1	noname	0.0440
30	H7    -0.6611     2.9511    -0.5284	H	1	noname	0.0848
31	H8     1.1618    -2.5528    -0.6623	H	1	noname	0.0277
32	H9     2.7598    -2.5378     0.1136	H	1	noname	0.0277
33	H10     2.0907    -4.8348    -0.5203	H	1	noname	0.0231
34	H11     2.2328    -4.6828     1.2456	H	1	noname	0.0231
35	H12     0.6267    -4.6938     0.4776	H	1	noname	0.0231
36	H13    -2.6012    -1.8386    -1.3732	H	1	noname	0.1273
37	H14    -3.2402    -0.4336    -2.0382	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	24	1
8	5	8	1
9	5	9	2
10	6	10	1
11	6	11	2
12	7	11	1
13	7	25	1
14	8	12	2
15	8	13	1
16	9	14	1
17	9	26	1
18	11	27	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	28	1
26	16	29	1
27	17	20	2
28	17	30	1
29	18	21	2
30	19	22	1
31	19	31	1
32	19	32	1
33	20	21	1
34	21	23	1
35	22	33	1
36	22	34	1
37	22	35	1
38	23	36	1
39	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1