@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441556
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3302    -8.3522     0.8958	O.2	1	noname	-0.2810
2	C1     3.4772    -7.8881     0.7158	C.2	1	noname	0.0635
3	N1     3.6052    -6.5670     0.4048	N.3	1	noname	0.0141
4	C2     4.6313    -8.7011     0.8258	C.2	1	noname	0.0621
5	C3     4.8162    -5.9789     0.1918	C.2	1	noname	-0.0814
6	N2     4.5342   -10.0191     1.1319	N.2	1	noname	-0.2190
7	C4     5.9013    -8.1130     0.6079	C.2	1	noname	0.0478
8	C5     5.9902    -6.7339     0.2888	C.2	1	noname	-0.0120
9	C6     5.6292   -10.8051     1.2360	C.2	1	noname	0.0554
10	C7     7.0253    -8.9580     0.7220	C.2	1	noname	0.0579
11	N3     6.8513   -10.2671     1.0300	N.2	1	noname	-0.2206
12	N4     8.2794    -8.4850     0.5250	N.3	1	noname	-0.1000
13	C8     9.4454    -9.2950     0.6050	C.3	1	noname	0.0159
14	C9    10.6964    -8.4599     0.2671	C.3	1	noname	-0.0252
15	C10     9.7483    -9.7669     2.0432	C.3	1	noname	-0.0342
16	C11    11.0474    -7.8188     1.6082	C.3	1	noname	-0.0460
17	C12    11.8864    -9.4089     0.0441	C.3	1	noname	-0.0487
18	C13    11.1394    -9.1689     2.3142	C.3	1	noname	-0.0396
19	C14    12.1864    -9.9128     1.4672	C.3	1	noname	-0.0500
20	H1     2.8021    -6.0289     0.3328	H	1	noname	0.1368
21	H2     4.8652    -4.9858    -0.0391	H	1	noname	0.0754
22	H3     6.8932    -6.2868     0.1278	H	1	noname	0.0641
23	H4     5.5332   -11.7941     1.4671	H	1	noname	0.1062
24	H5     8.3893    -7.5499     0.2960	H	1	noname	0.1299
25	H6     9.3623   -10.1440    -0.0768	H	1	noname	0.0471
26	H7    10.5504    -7.7488    -0.5468	H	1	noname	0.0319
27	H8     9.7653   -10.8560     2.1062	H	1	noname	0.0285
28	H9     9.0252    -9.3629     2.7532	H	1	noname	0.0285
29	H10    10.2443    -7.1917     2.0003	H	1	noname	0.0273
30	H11    12.0004    -7.2877     1.5863	H	1	noname	0.0273
31	H12    11.6244   -10.2299    -0.6238	H	1	noname	0.0270
32	H13    12.7414    -8.8588    -0.3498	H	1	noname	0.0270
33	H14    11.3934    -9.1068     3.3733	H	1	noname	0.0303
34	H15    12.0634   -10.9938     1.5423	H	1	noname	0.0269
35	H16    13.1944    -9.6238     1.7673	H	1	noname	0.0269
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	20	1
6	4	6	2
7	4	7	1
8	5	8	2
9	5	21	1
10	6	9	1
11	7	10	2
12	7	8	1
13	8	22	1
14	9	11	2
15	9	23	1
16	10	12	1
17	10	11	1
18	12	13	1
19	12	24	1
20	13	14	1
21	13	15	1
22	13	25	1
23	14	16	1
24	14	17	1
25	14	26	1
26	15	18	1
27	15	27	1
28	15	28	1
29	16	18	1
30	16	29	1
31	16	30	1
32	17	19	1
33	17	31	1
34	17	32	1
35	18	19	1
36	18	33	1
37	19	34	1
38	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1