@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443933
33 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    10.2618    -6.7749    -1.7341	O.3	1	noname	-0.3617
2	C1    11.3328    -6.3809    -0.9990	C.2	1	noname	0.0503
3	C2     9.2259    -6.0149    -1.2970	C.2	1	noname	0.0983
4	C3    12.6627    -6.8158    -1.0120	C.2	1	noname	0.0912
5	C4    10.9877    -5.3759    -0.1000	C.2	1	noname	0.1137
6	C5     9.6368    -5.1429    -0.2920	C.2	1	noname	0.1000
7	C6     7.8869    -6.0039    -1.7100	C.2	1	noname	0.0316
8	N1    13.5436    -6.2378    -0.1550	N.2	1	noname	-0.2174
9	N2    13.0706    -7.7807    -1.8459	N.3	1	noname	-0.0997
10	N3    11.8887    -4.8209     0.7419	N.2	1	noname	-0.2184
11	N4     8.7728    -4.2859     0.2979	N.2	1	noname	-0.2097
12	C7     6.9669    -5.1108    -1.1019	C.2	1	noname	0.0131
13	C8    13.1756    -5.2558     0.7119	C.2	1	noname	0.0635
14	C9     7.4678    -4.2548    -0.0829	C.2	1	noname	0.0190
15	C10     5.5939    -5.0738    -1.4949	C.2	1	noname	-0.0388
16	C11     4.9269    -6.2507    -1.9258	C.2	1	noname	-0.0003
17	C12     4.8549    -3.8598    -1.4648	C.2	1	noname	-0.0419
18	C13     3.5769    -6.1886    -2.3028	C.2	1	noname	0.0355
19	C14     3.4989    -3.8108    -1.8448	C.2	1	noname	-0.0132
20	O2     2.7789    -7.1815    -2.7297	O.3	1	noname	-0.2447
21	C15     2.8779    -4.9947    -2.2617	C.2	1	noname	0.0353
22	C16     1.4970    -6.5805    -2.9736	C.3	1	noname	0.1587
23	O3     1.6079    -5.1826    -2.6617	O.3	1	noname	-0.2449
24	H1     7.5948    -6.6358    -2.4559	H	1	noname	0.0658
25	H2    12.4396    -8.1927    -2.4579	H	1	noname	0.1258
26	H3    13.9965    -8.0667    -1.8369	H	1	noname	0.1258
27	H4    13.8665    -4.8458     1.3409	H	1	noname	0.1062
28	H5     6.8448    -3.6028     0.3960	H	1	noname	0.0846
29	H6     5.4068    -7.1516    -1.9568	H	1	noname	0.0657
30	H7     5.3029    -2.9898    -1.1748	H	1	noname	0.0630
31	H8     2.9809    -2.9328    -1.8197	H	1	noname	0.0651
32	H9     1.2209    -6.7055    -4.0215	H	1	noname	0.0892
33	H10     0.7420    -7.0444    -2.3386	H	1	noname	0.0892
@<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	24	1
14	8	13	2
15	9	25	1
16	9	26	1
17	10	13	1
18	11	14	2
19	12	15	1
20	12	14	1
21	13	27	1
22	14	28	1
23	15	16	2
24	15	17	1
25	16	18	1
26	16	29	1
27	17	19	2
28	17	30	1
29	18	20	1
30	18	21	2
31	19	21	1
32	19	31	1
33	20	22	1
34	21	23	1
35	22	23	1
36	22	32	1
37	22	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1