@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3531
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1     5.3054     4.6085     1.9111	F	1	noname	-0.1649
2	C1     4.0673     4.8306     2.2532	C.2	1	noname	0.0207
3	C2     3.0332     4.0495     1.7052	C.2	1	noname	-0.0066
4	C3     3.7633     5.8567     3.1653	C.2	1	noname	-0.0307
5	C4     1.6901     4.2806     2.0742	C.2	1	noname	-0.0152
6	C5     2.4272     6.1037     3.5243	C.2	1	noname	-0.0467
7	N1     0.6490     3.5796     1.5542	N.3	1	noname	0.0060
8	C6     1.3961     5.3217     2.9753	C.2	1	noname	-0.0602
9	C7     0.5790     2.2296     1.3833	C.2	1	noname	0.0373
10	N2     1.6080     1.4256     1.7563	N.2	1	noname	-0.2423
11	C8    -0.5780     1.6436     0.8233	C.2	1	noname	-0.0127
12	C9     1.5779     0.0816     1.6093	C.2	1	noname	0.0406
13	C10    -0.5841     0.2345     0.6773	C.2	1	noname	0.0462
14	C11    -1.7061     2.3817     0.4053	C.2	1	noname	0.0264
15	N3     0.4828    -0.4993     1.0703	N.2	1	noname	-0.2520
16	C12    -1.7022    -0.4134     0.1263	C.2	1	noname	0.0378
17	C13    -2.8212     1.7337    -0.1546	C.2	1	noname	0.0453
18	C14    -2.8263     0.3266    -0.2775	C.2	1	noname	0.0600
19	O1    -3.8693     2.5068    -0.5496	O.3	1	noname	-0.2654
20	O2    -3.8874    -0.3583    -0.7875	O.3	1	noname	-0.2629
21	C15    -4.2514     2.5178    -1.9276	C.3	1	noname	0.0424
22	C16    -5.1385    -0.3173    -0.0974	C.3	1	noname	0.0424
23	H1     3.2592     3.3166     1.0322	H	1	noname	0.0670
24	H2     4.5093     6.4277     3.5643	H	1	noname	0.0653
25	H3     2.2051     6.8518     4.1814	H	1	noname	0.0624
26	H4    -0.1400     4.0917     1.3223	H	1	noname	0.1357
27	H5     0.4280     5.5107     3.2393	H	1	noname	0.0639
28	H6     2.3729    -0.4863     1.9024	H	1	noname	0.1062
29	H7    -1.7222     3.3988     0.4953	H	1	noname	0.0659
30	H8    -1.7043    -1.4294     0.0263	H	1	noname	0.0674
31	H9    -5.0725     3.2229    -2.0576	H	1	noname	0.0535
32	H10    -3.4124     2.8369    -2.5486	H	1	noname	0.0535
33	H11    -4.5845     1.5298    -2.2496	H	1	noname	0.0535
34	H12    -5.8536    -0.9442    -0.6304	H	1	noname	0.0535
35	H13    -5.0216    -0.7022     0.9175	H	1	noname	0.0535
36	H14    -5.5296     0.6998    -0.0564	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	23	1
6	4	6	2
7	4	24	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	25	1
12	7	9	1
13	7	26	1
14	8	27	1
15	9	10	2
16	9	11	1
17	10	12	1
18	11	13	1
19	11	14	2
20	12	15	2
21	12	28	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	29	1
26	16	18	1
27	16	30	1
28	17	19	1
29	17	18	2
30	18	20	1
31	19	21	1
32	20	22	1
33	21	31	1
34	21	32	1
35	21	33	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1