@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439726
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    10.1933    -5.1320     1.5907	S.3	1	noname	-0.1498
2	C1    10.4052    -3.6159     0.7667	C.2	1	noname	0.1124
3	C2     9.6062    -4.2039     2.9247	C.2	1	noname	0.0466
4	N1    10.0571    -2.5198     1.4618	N.2	1	noname	-0.1910
5	N2    10.8822    -3.4869    -0.4881	N.3	1	noname	-0.0936
6	C3     9.6032    -2.8339     2.6798	C.2	1	noname	0.0352
7	C4     9.1582    -4.7149     4.1528	C.2	1	noname	0.0017
8	C5    11.2621    -4.5068    -1.2911	C.2	1	noname	0.1372
9	C6     9.1541    -1.9358     3.6589	C.2	1	noname	-0.0042
10	C7     8.6951    -3.8358     5.1648	C.2	1	noname	-0.0245
11	O1    11.2051    -5.7068    -0.9391	O.2	1	noname	-0.2752
12	C8    11.7640    -4.2077    -2.6321	C.3	1	noname	0.0099
13	C9     8.7031    -2.4418     4.8929	C.2	1	noname	-0.0289
14	C10     8.2331    -4.3398     6.4189	C.2	1	noname	-0.0334
15	C11     7.1930    -3.7117     7.1339	C.2	1	noname	0.0073
16	C12     8.7900    -5.4968     7.0109	C.2	1	noname	0.0007
17	N3     6.7710    -4.2127     8.3170	N.2	1	noname	-0.2569
18	C13     8.3460    -6.0157     8.2480	C.2	1	noname	0.0117
19	C14     7.2969    -5.3186     8.8910	C.2	1	noname	0.0560
20	C15     9.0069    -7.2407     8.7771	C.3	1	noname	0.4191
21	N4     6.7589    -5.6736    10.0661	N.3	1	noname	-0.1108
22	F1     8.5349    -7.7027     9.9811	F	1	noname	-0.1660
23	F2     8.8629    -8.2747     7.8831	F	1	noname	-0.1660
24	F3    10.3509    -7.0087     8.9531	F	1	noname	-0.1660
25	H1    10.9581    -2.5878    -0.8421	H	1	noname	0.1394
26	H2     9.1621    -5.7258     4.2939	H	1	noname	0.0644
27	H3     9.1551    -0.9318     3.4799	H	1	noname	0.0646
28	H4    11.1260    -4.6927    -3.3720	H	1	noname	0.0324
29	H5    12.7810    -4.5877    -2.7291	H	1	noname	0.0324
30	H6    11.7640    -3.1317    -2.8090	H	1	noname	0.0324
31	H7     8.3880    -1.7757     5.6000	H	1	noname	0.0629
32	H8     6.7330    -2.8777     6.7650	H	1	noname	0.0846
33	H9     9.5560    -5.9797     6.5380	H	1	noname	0.0637
34	H10     6.0398    -5.1395    10.4392	H	1	noname	0.1258
35	H11     7.0738    -6.4525    10.5471	H	1	noname	0.1258
@<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	6	1
8	5	8	1
9	5	25	1
10	6	9	1
11	7	10	2
12	7	26	1
13	8	11	2
14	8	12	1
15	9	13	2
16	9	27	1
17	10	14	1
18	10	13	1
19	12	28	1
20	12	29	1
21	12	30	1
22	13	31	1
23	14	15	2
24	14	16	1
25	15	17	1
26	15	32	1
27	16	18	2
28	16	33	1
29	17	19	2
30	18	20	1
31	18	19	1
32	19	21	1
33	20	22	1
34	20	23	1
35	20	24	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1