@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3341
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.1789     5.6619     3.1330	O.3	1	noname	-0.2753
2	C1     3.6838     6.2989     2.0390	C.2	1	noname	0.0078
3	C2     3.2479     5.0729     4.0431	C.3	1	noname	0.0423
4	C3     3.3508     5.5869     0.8641	C.2	1	noname	-0.0189
5	C4     3.5118     7.6940     2.0931	C.2	1	noname	-0.0288
6	C5     2.8347     6.2920    -0.2428	C.2	1	noname	-0.0435
7	C6     3.5338     4.1260     0.7691	C.3	1	noname	0.0291
8	C7     2.9987     8.3860     0.9841	C.2	1	noname	-0.0516
9	C8     2.6587     7.6851    -0.1838	C.2	1	noname	-0.0706
10	N1     2.2677     3.4860     0.6791	N.3	1	noname	-0.0980
11	C9     2.1236     2.1420     0.6021	C.2	1	noname	0.0553
12	N2     3.2256     1.3511     0.6072	N.2	1	noname	-0.2264
13	C10     0.8475     1.5490     0.5212	C.2	1	noname	-0.0044
14	C11     3.1485     0.0021     0.5372	C.2	1	noname	0.0578
15	C12     0.7905     0.1361     0.4492	C.2	1	noname	0.0234
16	C13    -0.3634     2.2671     0.5082	C.2	1	noname	0.0246
17	N3     1.9345    -0.5888     0.4593	N.2	1	noname	-0.2432
18	C14    -0.4475    -0.5218     0.3682	C.2	1	noname	0.0083
19	N4    -1.5415     1.5991     0.4292	N.2	1	noname	-0.2578
20	C15    -1.6205     0.2482     0.3593	C.2	1	noname	0.0377
21	N5    -2.8236    -0.3357     0.2833	N.3	1	noname	-0.1172
22	H1     3.8008     4.6050     4.8571	H	1	noname	0.0535
23	H2     2.5878     5.8370     4.4571	H	1	noname	0.0535
24	H3     2.6498     4.3110     3.5401	H	1	noname	0.0535
25	H4     3.7567     8.2051     2.9412	H	1	noname	0.0650
26	H5     2.5897     5.7900    -1.0968	H	1	noname	0.0626
27	H6     4.1287     3.8940    -0.1158	H	1	noname	0.0483
28	H7     4.0627     3.7440     1.6452	H	1	noname	0.0483
29	H8     2.8727     9.3981     1.0272	H	1	noname	0.0623
30	H9     2.2867     8.1871    -0.9908	H	1	noname	0.0622
31	H10     1.4716     4.0391     0.6782	H	1	noname	0.1300
32	H11     3.9975    -0.5628     0.5443	H	1	noname	0.1062
33	H12    -0.3695     3.2861     0.5582	H	1	noname	0.0848
34	H13    -0.4915    -1.5397     0.3163	H	1	noname	0.0679
35	H14    -2.8957    -1.3007     0.2334	H	1	noname	0.1257
36	H15    -3.6237     0.2122     0.2793	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	22	1
6	3	23	1
7	3	24	1
8	4	6	1
9	4	7	1
10	5	8	2
11	5	25	1
12	6	9	2
13	6	26	1
14	7	10	1
15	7	27	1
16	7	28	1
17	8	9	1
18	8	29	1
19	9	30	1
20	10	11	1
21	10	31	1
22	11	12	2
23	11	13	1
24	12	14	1
25	13	15	1
26	13	16	2
27	14	17	2
28	14	32	1
29	15	18	2
30	15	17	1
31	16	19	1
32	16	33	1
33	18	20	1
34	18	34	1
35	19	20	2
36	20	21	1
37	21	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1