@<TRIPOS>MOLECULE
DB02507
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.8830     1.5611     0.3819	O.2	1	noname	-0.2513
2	C1     1.6430     1.6190     0.2357	C.2	1	noname	0.1308
3	O2     0.8495     0.5656     0.6322	O.3	1	noname	-0.1451
4	C2     1.0479     2.7665    -0.3378	C.2	1	noname	0.1104
5	C3    -0.5234     0.5596     0.4961	C.2	1	noname	0.0294
6	C4    -0.3564     2.8025    -0.4926	C.2	1	noname	0.0188
7	C5     1.8706     3.8952    -0.7628	C.3	1	noname	0.0244
8	C6    -1.1697     1.7164    -0.0871	C.2	1	noname	0.0123
9	C7    -1.2840    -0.5660     0.9169	C.2	1	noname	-0.0111
10	O3    -0.9341     3.8940    -1.0379	O.3	1	noname	-0.2814
11	C8     1.0673     5.1905    -0.6294	C.2	1	noname	-0.0513
12	C9     2.2684     3.7104    -2.1554	C.3	1	noname	0.0170
13	C10    -2.5837     1.7577    -0.2580	C.2	1	noname	-0.0245
14	C11    -2.6988    -0.5071     0.7603	C.2	1	noname	-0.0436
15	C12     1.5209     6.2071     0.2030	C.2	1	noname	-0.0549
16	C13    -0.1160     5.3508    -1.3408	C.2	1	noname	-0.0549
17	C14     3.0911     4.8392    -2.5804	C.2	1	noname	0.1311
18	C15    -3.3367     0.6287     0.1869	C.2	1	noname	-0.0562
19	C16     0.7912     7.3839     0.3242	C.2	1	noname	-0.0599
20	C17    -0.8458     6.5276    -1.2196	C.2	1	noname	-0.0599
21	O4     2.7219     5.5573    -3.5346	O.2	1	noname	-0.3004
22	C18     4.3449     5.1292    -1.8910	C.3	1	noname	-0.0057
23	C19    -0.3922     7.5441    -0.3871	C.2	1	noname	-0.0615
24	H1     2.7722     3.9086    -0.1504	H	1	noname	0.0409
25	H2    -0.7992    -1.4436     1.3447	H	1	noname	0.0650
26	H3    -1.2420     4.4759    -0.3392	H	1	noname	0.2182
27	H4     2.9062     2.8271    -2.1858	H	1	noname	0.0356
28	H5     1.3558     3.7445    -2.7504	H	1	noname	0.0356
29	H6    -3.0710     2.6205    -0.7120	H	1	noname	0.0630
30	H7    -3.3072    -1.3505     1.0868	H	1	noname	0.0623
31	H8     2.4489     6.0814     0.7609	H	1	noname	0.0625
32	H9    -0.4717     4.5537    -1.9936	H	1	noname	0.0625
33	H10    -4.4221     0.6341     0.0866	H	1	noname	0.0622
34	H11     1.1469     8.1810     0.9770	H	1	noname	0.0622
35	H12    -1.7738     6.6533    -1.7775	H	1	noname	0.0622
36	H13     4.1842     5.0920    -0.8135	H	1	noname	0.0310
37	H14     5.0939     4.3889    -2.1723	H	1	noname	0.0310
38	H15     4.6928     6.1231    -2.1723	H	1	noname	0.0310
39	H16    -0.9645     8.4670    -0.2921	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	6	8	1
11	7	11	1
12	7	12	1
13	8	13	1
14	9	14	2
15	11	15	2
16	11	16	1
17	12	17	1
18	13	18	2
19	14	18	1
20	15	19	1
21	16	20	2
22	17	21	2
23	17	22	1
24	19	23	2
25	20	23	1
26	7	24	1
27	9	25	1
28	10	26	1
29	12	27	1
30	12	28	1
31	13	29	1
32	14	30	1
33	15	31	1
34	16	32	1
35	18	33	1
36	19	34	1
37	20	35	1
38	22	36	1
39	22	37	1
40	22	38	1
41	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1