@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441553
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    18.7084    -1.7799    -2.4925	O.2	1	noname	-0.2810
2	C1    17.6043    -2.3659    -2.4454	C.2	1	noname	0.0635
3	N1    16.6383    -2.0098    -3.3374	N.3	1	noname	0.0141
4	C2    17.3453    -3.3799    -1.4914	C.2	1	noname	0.0622
5	C3    15.4072    -2.5958    -3.3554	C.2	1	noname	-0.0814
6	N2    18.2883    -3.7528    -0.5913	N.2	1	noname	-0.2186
7	C4    16.0742    -4.0049    -1.4903	C.2	1	noname	0.0482
8	C5    15.0952    -3.6028    -2.4353	C.2	1	noname	-0.0119
9	C6    18.0522    -4.7198     0.3227	C.2	1	noname	0.0555
10	C7    15.8531    -5.0098    -0.5253	C.2	1	noname	0.0582
11	N3    16.8461    -5.3288     0.3427	N.2	1	noname	-0.2201
12	N4    14.6651    -5.6618    -0.4602	N.3	1	noname	-0.0967
13	C8    14.3280    -6.6748     0.4857	C.3	1	noname	0.0472
14	C9    12.9760    -7.2928     0.0947	C.3	1	noname	-0.0322
15	C10    15.2620    -7.8958     0.4148	C.3	1	noname	-0.0322
16	C11    14.2540    -6.1107     1.9238	C.3	1	noname	0.0618
17	C12    12.9619    -8.6898     0.7278	C.3	1	noname	-0.0514
18	C13    14.4340    -9.0807     0.9258	C.3	1	noname	-0.0514
19	O2    13.3469    -5.0167     1.9869	O.3	1	noname	-0.3943
20	H1    16.8372    -1.3138    -3.9814	H	1	noname	0.1368
21	H2    14.7131    -2.2978    -4.0414	H	1	noname	0.0754
22	H3    14.1711    -4.0348    -2.4553	H	1	noname	0.0641
23	H4    18.7761    -4.9858     0.9907	H	1	noname	0.1062
24	H5    13.9850    -5.4188    -1.1042	H	1	noname	0.1303
25	H6    12.9169    -7.3977    -0.9901	H	1	noname	0.0286
26	H7    12.1379    -6.6917     0.4498	H	1	noname	0.0286
27	H8    15.5490    -8.0787    -0.6211	H	1	noname	0.0286
28	H9    16.1560    -7.7557     1.0238	H	1	noname	0.0286
29	H10    13.9169    -6.8867     2.6109	H	1	noname	0.0583
30	H11    15.2390    -5.7707     2.2429	H	1	noname	0.0583
31	H12    12.4559    -9.3997     0.0739	H	1	noname	0.0267
32	H13    12.4579    -8.6537     1.6949	H	1	noname	0.0267
33	H14    14.6319    -9.2407     1.9869	H	1	noname	0.0267
34	H15    14.6749    -9.9837     0.3649	H	1	noname	0.0267
35	H16    13.2709    -4.6056     2.8729	H	1	noname	0.2101
@<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	16	1
23	14	17	1
24	14	25	1
25	14	26	1
26	15	18	1
27	15	27	1
28	15	28	1
29	16	19	1
30	16	29	1
31	16	30	1
32	17	18	1
33	17	31	1
34	17	32	1
35	18	33	1
36	18	34	1
37	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1