@<TRIPOS>MOLECULE
DB02915
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.6877    -7.1106    -0.6895	S.3	1	noname	-0.2044
2	C1    -1.6259    -5.6190    -0.5608	C.2	1	noname	0.0390
3	C2     0.9288    -6.4593    -0.4559	C.2	1	noname	0.0710
4	C3    -3.0340    -5.4321    -0.6576	C.2	1	noname	0.0364
5	C4    -0.6042    -4.6773    -0.3382	C.2	1	noname	0.0475
6	N1     0.6820    -5.1382    -0.2908	N.2	1	noname	-0.2238
7	C5     2.2083    -7.1624    -0.4433	C.3	1	noname	0.0579
8	N2    -3.5764    -4.1646    -0.5259	N.2	1	noname	-0.2094
9	C6    -3.8661    -6.5689    -0.8912	C.2	1	noname	-0.0060
10	C7    -0.9067    -3.2596    -0.1642	C.3	1	noname	0.0432
11	C8    -4.9218    -3.9133    -0.6082	C.2	1	noname	0.0920
12	C9    -5.2531    -6.2960    -0.9740	C.2	1	noname	0.0162
13	N3    -5.7138    -5.0110    -0.8327	N.2	1	noname	-0.2254
14	N4    -5.4286    -2.6797    -0.4781	N.3	1	noname	0.0304
15	C10    -5.7067    -2.4447     0.8115	C.2	1	noname	-0.0272
16	C11    -6.2455    -1.2220     1.1947	C.2	1	noname	-0.0447
17	C12    -5.4563    -3.4236     1.7660	C.2	1	noname	-0.0447
18	C13    -6.5340    -0.9783     2.5324	C.2	1	noname	-0.0281
19	C14    -5.7447    -3.1798     3.1037	C.2	1	noname	-0.0281
20	C15    -6.2835    -1.9572     3.4869	C.2	1	noname	-0.0308
21	C16    -6.5865    -1.7011     4.8920	C.3	1	noname	0.4161
22	F1    -5.4900    -1.1495     5.5028	F	1	noname	-0.1661
23	F2    -7.6440    -0.8331     4.9807	F	1	noname	-0.1661
24	F3    -6.9100    -2.8803     5.5120	F	1	noname	-0.1661
25	H1     2.5190    -7.3331     0.5874	H	1	noname	0.0304
26	H2     2.1021    -8.1195    -0.9540	H	1	noname	0.0304
27	H3     2.9592    -6.5595    -0.9540	H	1	noname	0.0304
28	H4    -3.4688    -7.5781    -0.9991	H	1	noname	0.0662
29	H5    -0.9564    -3.0265     0.8994	H	1	noname	0.0296
30	H6    -0.1244    -2.6612    -0.6311	H	1	noname	0.0296
31	H7    -1.8651    -3.0326    -0.6311	H	1	noname	0.0296
32	H8    -5.9794    -7.0896    -1.1498	H	1	noname	0.0841
33	H9    -5.5780    -2.0279    -1.2350	H	1	noname	0.1373
34	H10    -6.4419    -0.4544     0.4461	H	1	noname	0.0639
35	H11    -5.0337    -4.3824     1.4655	H	1	noname	0.0639
36	H12    -6.9565    -0.0195     2.8328	H	1	noname	0.0629
37	H13    -5.5483    -3.9475     3.8523	H	1	noname	0.0629
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	4	8	2
8	4	9	1
9	5	10	1
10	5	6	1
11	8	11	1
12	9	12	2
13	11	13	2
14	11	14	1
15	12	13	1
16	14	15	1
17	15	16	2
18	15	17	1
19	16	18	1
20	17	19	2
21	18	20	2
22	19	20	1
23	20	21	1
24	21	22	1
25	21	23	1
26	21	24	1
27	7	25	1
28	7	26	1
29	7	27	1
30	9	28	1
31	10	29	1
32	10	30	1
33	10	31	1
34	12	32	1
35	14	33	1
36	16	34	1
37	17	35	1
38	18	36	1
39	19	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1