@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3767
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.3544     2.6602     0.3544	S.3	1	noname	-0.1913
2	C1    -0.1114     0.9452     0.4414	C.2	1	noname	0.0344
3	C2    -2.0394     2.3312     0.1044	C.2	1	noname	0.0226
4	C3     1.1055     0.2833     0.6555	C.2	1	noname	0.0603
5	C4    -1.2625     0.1732     0.2834	C.2	1	noname	0.0482
6	C5    -2.3795     0.9733     0.0884	C.2	1	noname	0.0251
7	C6    -3.0295     3.3123    -0.0715	C.2	1	noname	-0.0162
8	N1     1.0994    -1.0766     0.6986	N.2	1	noname	-0.2181
9	N2     2.2264     1.0283     0.8275	N.3	1	noname	0.0087
10	N3    -1.2155    -1.1786     0.3315	N.2	1	noname	-0.2306
11	C7    -3.7116     0.5643    -0.1024	C.2	1	noname	-0.0171
12	C8    -4.3666     2.9133    -0.2634	C.2	1	noname	-0.0391
13	C9    -0.0326    -1.8086     0.5386	C.2	1	noname	0.0464
14	C10     3.4804     0.5604     1.0616	C.2	1	noname	-0.0315
15	C11    -4.7076     1.5454    -0.2794	C.2	1	noname	-0.0202
16	C12     4.0363    -0.5405     0.3736	C.2	1	noname	-0.0579
17	C13     4.2703     1.2474     2.0036	C.2	1	noname	-0.0579
18	N4    -5.9847     1.1755    -0.4623	N.3	1	noname	-0.1544
19	C14     5.3503    -0.9605     0.6457	C.2	1	noname	-0.0630
20	C15     5.5833     0.8285     2.2767	C.2	1	noname	-0.0630
21	C16     6.1232    -0.2775     1.5997	C.2	1	noname	-0.0828
22	H1    -2.7816     4.3013    -0.0594	H	1	noname	0.0638
23	H2     2.1134     1.9914     0.8336	H	1	noname	0.1357
24	H3    -3.9526    -0.4275    -0.1114	H	1	noname	0.0646
25	H4    -5.0887     3.6234    -0.3914	H	1	noname	0.0639
26	H5     0.0063    -2.8275     0.5757	H	1	noname	0.1062
27	H6     3.4893    -1.0365    -0.3302	H	1	noname	0.0639
28	H7     3.8883     2.0545     2.4997	H	1	noname	0.0639
29	H8    -6.2218     0.2345    -0.4703	H	1	noname	0.1242
30	H9    -6.6728     1.8475    -0.5862	H	1	noname	0.1242
31	H10     5.7432    -1.7595     0.1487	H	1	noname	0.0623
32	H11     6.1453     1.3285     2.9668	H	1	noname	0.0623
33	H12     7.0762    -0.5814     1.7968	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	5	6	1
11	6	11	1
12	7	12	2
13	7	22	1
14	8	13	2
15	9	14	1
16	9	23	1
17	10	13	1
18	11	15	2
19	11	24	1
20	12	15	1
21	12	25	1
22	13	26	1
23	14	16	2
24	14	17	1
25	15	18	1
26	16	19	1
27	16	27	1
28	17	20	2
29	17	28	1
30	18	29	1
31	18	30	1
32	19	21	2
33	19	31	1
34	20	21	1
35	20	32	1
36	21	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1