@<TRIPOS>MOLECULE
DB07014
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.3648     4.0762     7.4290	S.3	1	noname	-0.0073
2	C1    -1.0540     3.3651     5.8828	C.2	1	noname	0.1522
3	C2    -1.2576     5.8682     7.2978	C.3	1	noname	0.0268
4	O1    -0.7771     4.0263     4.7605	O.3	1	noname	-0.2925
5	N1    -1.0503     2.0588     5.6082	N.2	1	noname	-0.1099
6	C3    -1.5198     6.4682     8.6026	C.2	1	noname	-0.0465
7	C4    -0.5908     3.0983     3.7925	C.2	1	noname	0.1484
8	N2    -0.7831     1.8940     4.3617	N.2	1	noname	-0.1232
9	C5    -1.4922     7.8501     8.7503	C.2	1	noname	0.0066
10	C6    -1.7971     5.6577     9.6973	C.2	1	noname	-0.0480
11	C7    -0.4540     3.3440     2.4063	C.2	1	noname	-0.0140
12	C8    -1.7419     8.4214     9.9927	C.2	1	noname	0.0482
13	C9    -2.0468     6.2290    10.9396	C.2	1	noname	-0.0139
14	C10    -0.0786     2.3093     1.4884	C.2	1	noname	0.0307
15	C11    -0.9143     4.6203     1.9542	C.2	1	noname	-0.0094
16	F1    -1.7160     9.7148    10.1309	F	1	noname	-0.1554
17	C12    -2.0192     7.6108    11.0873	C.2	1	noname	0.0477
18	C13    -0.2813     2.5878     0.1135	C.2	1	noname	0.0453
19	C14    -1.1252     4.8970     0.5833	C.2	1	noname	-0.0033
20	O2    -2.2617     8.1657    12.2939	O.3	1	noname	-0.2631
21	O3    -0.0915     1.7606    -0.9238	O.3	1	noname	-0.2440
22	C15    -0.8136     3.8244    -0.2900	C.2	1	noname	0.0533
23	C16    -1.0406     8.3033    13.0056	C.3	1	noname	0.0424
24	C17    -0.2533     2.6809    -2.0173	C.3	1	noname	0.1587
25	O4    -0.9475     3.8773    -1.6221	O.3	1	noname	-0.2428
26	H1    -0.2309     6.1694     7.0899	H	1	noname	0.0435
27	H2    -2.0727     6.2498     6.6828	H	1	noname	0.0435
28	H3    -1.2747     8.4857     7.8920	H	1	noname	0.0657
29	H4    -1.8188     4.5741     9.5814	H	1	noname	0.0626
30	H5    -2.2643     5.5934    11.7980	H	1	noname	0.0651
31	H6     0.3399     1.3587     1.8192	H	1	noname	0.0659
32	H7    -1.1112     5.4096     2.6797	H	1	noname	0.0631
33	H8    -1.4973     5.8583     0.2288	H	1	noname	0.0651
34	H9    -1.2400     8.2808    14.0770	H	1	noname	0.0535
35	H10    -0.3726     7.4829    12.7431	H	1	noname	0.0535
36	H11    -0.5719     9.2517    12.7431	H	1	noname	0.0535
37	H12     0.7512     2.9927    -2.3034	H	1	noname	0.0892
38	H13    -0.8962     2.1817    -2.7422	H	1	noname	0.0892
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	1
6	4	7	1
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	7	8	2
12	9	12	1
13	10	13	2
14	11	14	2
15	11	15	1
16	12	16	1
17	12	17	2
18	13	17	1
19	14	18	1
20	15	19	2
21	17	20	1
22	18	21	1
23	18	22	2
24	19	22	1
25	20	23	1
26	21	24	1
27	22	25	1
28	24	25	1
29	3	26	1
30	3	27	1
31	9	28	1
32	10	29	1
33	13	30	1
34	14	31	1
35	15	32	1
36	19	33	1
37	23	34	1
38	23	35	1
39	23	36	1
40	24	37	1
41	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1