@<TRIPOS>MOLECULE
DB02100
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4102     0.5116     0.1638	O.3	1	noname	-0.3413
2	C1     1.5254     0.1096    -0.6953	C.3	1	noname	0.1860
3	C2     0.3672     1.8522     0.7513	C.3	1	noname	0.1124
4	O2     1.7691    -1.2802    -0.5352	O.3	1	noname	-0.3530
5	C3     2.8565     0.8947    -0.5079	C.3	1	noname	0.1333
6	C4     1.2072     2.9477     0.0313	C.3	1	noname	0.1112
7	C5    -1.0872     2.3146     0.8609	C.3	1	noname	0.0722
8	C6     0.6058    -2.0095    -0.8974	C.3	1	noname	0.0389
9	O3     3.5305     0.4151     0.6462	O.3	1	noname	-0.3849
10	C7     2.6237     2.4321    -0.3732	C.3	1	noname	0.1134
11	O4     0.5155     3.3892    -1.1276	O.3	1	noname	-0.3874
12	O5    -1.8097     1.4127     1.6862	O.3	1	noname	-0.3934
13	O6     3.0407     3.0803    -1.5658	O.3	1	noname	-0.3873
14	H1     1.1422     0.2784    -1.7017	H	1	noname	0.0951
15	H2     0.8302     1.6760     1.7223	H	1	noname	0.0657
16	H3     3.5291     0.6887    -1.3405	H	1	noname	0.0682
17	H4     1.2942     3.8291     0.6666	H	1	noname	0.0657
18	H5    -1.0996     3.2671     1.3907	H	1	noname	0.0591
19	H6    -1.5424     2.2339    -0.1261	H	1	noname	0.0591
20	H7     0.0861    -2.3354     0.0036	H	1	noname	0.0530
21	H8    -0.0536    -1.3725    -1.4869	H	1	noname	0.0530
22	H9     0.8919    -2.8806    -1.4869	H	1	noname	0.0530
23	H10     3.5282    -0.5449     0.6424	H	1	noname	0.2108
24	H11     3.2886     2.7560     0.4274	H	1	noname	0.0658
25	H12     0.2154     2.6284    -1.6304	H	1	noname	0.2106
26	H13    -1.6436     1.6200     2.6087	H	1	noname	0.2101
27	H14     3.2710     2.4211    -2.2246	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	6	10	1
12	7	12	1
13	10	13	1
14	2	14	1
15	3	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	8	22	1
23	9	23	1
24	10	24	1
25	11	25	1
26	12	26	1
27	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1