@<TRIPOS>MOLECULE
DB02254
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.7502     5.0610    -1.2020	S.3	1	noname	-0.2010
2	C1    -2.1287     3.4603    -0.7948	C.2	1	noname	0.0796
3	C2    -1.2782     5.9894    -1.5423	C.2	1	noname	0.1609
4	C3    -0.7586     3.7598    -0.9205	C.2	1	noname	0.1826
5	C4    -2.8155     2.2216    -0.4407	C.3	1	noname	0.0105
6	N1    -0.3503     5.0260    -1.2777	N.2	1	noname	-0.0189
7	C5     0.2364     2.7209    -0.6705	C.3	1	noname	0.0879
8	C6    -3.6513     2.4447     0.8213	C.3	1	noname	0.0479
9	C7     1.0409     5.3425    -1.3219	C.3	1	noname	0.1815
10	O1    -4.3193     1.2399     1.1657	O.3	1	noname	-0.3112
11	C8     1.5694     5.7943    -0.0143	C.2	1	noname	0.0261
12	P1    -5.1605     1.4644     2.4360	P	1	noname	-0.2986
13	C9     2.5700     5.0673     0.6703	C.2	1	noname	0.0751
14	C10     1.0755     6.9434     0.6561	C.2	1	noname	0.0473
15	O2    -5.8380     0.2426     2.7852	O.2	1	noname	-0.5248
16	O3    -6.1994     2.5708     2.1748	O.3	1	noname	-0.5248
17	O4    -4.2384     1.8891     3.5939	O.3	1	noname	-0.5248
18	N2     3.0043     5.4693     1.9195	N.2	1	noname	-0.1939
19	N3     3.1031     3.9770     0.1023	N.3	1	noname	-0.1100
20	N4     1.5203     7.3054     1.9000	N.2	1	noname	-0.2178
21	C11     2.4848     6.5720     2.5379	C.2	1	noname	0.1110
22	C12     2.9531     6.9637     3.8641	C.3	1	noname	0.4512
23	F1     2.7126     5.9474     4.7523	F	1	noname	-0.1631
24	F2     4.2992     7.2197     3.8162	F	1	noname	-0.1631
25	F3     2.2875     8.0917     4.2691	F	1	noname	-0.1631
26	H1    -0.9903     6.9908    -1.8625	H	1	noname	0.1392
27	H2    -3.5046     2.0162    -1.2598	H	1	noname	0.0350
28	H3    -2.0325     1.5045    -0.1945	H	1	noname	0.0350
29	H4     0.3622     2.5895     0.4042	H	1	noname	0.0337
30	H5    -0.0979     1.7832    -1.1145	H	1	noname	0.0337
31	H6     1.1876     3.0144    -1.1145	H	1	noname	0.0337
32	H7    -2.9688     2.6450     1.6473	H	1	noname	0.0562
33	H8    -4.4410     3.1568     0.5819	H	1	noname	0.0562
34	H9     1.5433     4.4040    -1.5562	H	1	noname	0.0973
35	H10     1.1229     6.1895    -2.0032	H	1	noname	0.0973
36	H11     0.3191     7.5777     0.1939	H	1	noname	0.0846
37	H12     2.5182     3.1819    -0.1118	H	1	noname	0.1258
38	H13     4.0898     3.9503    -0.1118	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	4	7	1
7	4	6	1
8	5	8	1
9	6	9	1
10	8	10	1
11	9	11	1
12	10	12	1
13	11	13	2
14	11	14	1
15	12	15	2
16	12	16	1
17	12	17	1
18	13	18	1
19	13	19	1
20	14	20	2
21	18	21	2
22	20	21	1
23	21	22	1
24	22	23	1
25	22	24	1
26	22	25	1
27	3	26	1
28	5	27	1
29	5	28	1
30	7	29	1
31	7	30	1
32	7	31	1
33	8	32	1
34	8	33	1
35	9	34	1
36	9	35	1
37	14	36	1
38	19	37	1
39	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1