@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3750
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.1069     1.7555     1.4042	N.2	1	noname	-0.2331
2	C1     0.7548     1.7836     1.2512	C.2	1	noname	0.0383
3	C2     2.9658     1.7735     0.3483	C.2	1	noname	0.0240
4	N2    -0.0772     1.7626     2.3123	N.3	1	noname	-0.1007
5	C3     0.2447     1.8326    -0.0516	C.2	1	noname	0.0216
6	N3     2.4828     1.8196    -0.9206	N.2	1	noname	-0.2446
7	C4     0.3897     1.7056     3.6514	C.3	1	noname	0.0142
8	N4    -1.0152     1.8667    -0.5216	N.3	1	noname	-0.0332
9	C5     1.1447     1.8497    -1.1136	C.2	1	noname	0.0248
10	C6    -0.8073     1.7017     4.6145	C.3	1	noname	0.0106
11	C7    -0.9573     1.9027    -1.8646	C.2	1	noname	-0.0690
12	C8     0.3806     1.8947    -2.2706	C.2	1	noname	-0.0009
13	N5    -0.3733     1.8027     6.0245	N.3	1	noname	-0.3080
14	C9    -1.9943     1.9428    -2.8105	C.2	1	noname	-0.0408
15	C10     0.7346     1.9257    -3.6286	C.2	1	noname	-0.0281
16	C11    -1.5443     2.0628     6.8826	C.3	1	noname	-0.0136
17	C12     0.2876     0.5627     6.4746	C.3	1	noname	-0.0136
18	C13    -1.6544     1.9728    -4.1785	C.2	1	noname	-0.0506
19	C14    -0.3014     1.9658    -4.5846	C.2	1	noname	-0.0518
20	H1     3.9728     1.7496     0.5103	H	1	noname	0.1062
21	H2    -1.0332     1.7867     2.1553	H	1	noname	0.1297
22	H3     0.9767     0.7976     3.7894	H	1	noname	0.0445
23	H4     1.0137     2.5767     3.8624	H	1	noname	0.0445
24	H5    -1.8243     1.8627     0.0134	H	1	noname	0.1529
25	H6    -1.4313     2.5647     4.3745	H	1	noname	0.0443
26	H7    -1.3933     0.7937     4.4635	H	1	noname	0.0443
27	H8    -2.9704     1.9478    -2.5145	H	1	noname	0.0642
28	H9     1.7136     1.9198    -3.9176	H	1	noname	0.0630
29	H10    -1.2244     2.1658     7.9207	H	1	noname	0.0394
30	H11    -2.0274     2.9908     6.5766	H	1	noname	0.0394
31	H12    -2.2614     1.2438     6.8086	H	1	noname	0.0394
32	H13     0.5366     0.6408     7.5337	H	1	noname	0.0394
33	H14    -0.3684    -0.2961     6.3256	H	1	noname	0.0394
34	H15     1.2126     0.4078     5.9207	H	1	noname	0.0394
35	H16    -2.3935     2.0009    -4.8815	H	1	noname	0.0623
36	H17    -0.0714     1.9878    -5.5786	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	20	1
7	4	7	1
8	4	21	1
9	5	8	1
10	5	9	2
11	6	9	1
12	7	10	1
13	7	22	1
14	7	23	1
15	8	11	1
16	8	24	1
17	9	12	1
18	10	13	1
19	10	25	1
20	10	26	1
21	11	14	1
22	11	12	2
23	12	15	1
24	13	16	1
25	13	17	1
26	14	18	2
27	14	27	1
28	15	19	2
29	15	28	1
30	16	29	1
31	16	30	1
32	16	31	1
33	17	32	1
34	17	33	1
35	17	34	1
36	18	19	1
37	18	35	1
38	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1