@<TRIPOS>MOLECULE
DB00852
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5851    -1.2383    -0.3719	O.3	1	noname	-0.3867
2	C1    -0.1936    -0.9843    -0.2479	C.3	1	noname	0.0941
3	C2     0.0404    -0.1020     0.8916	C.2	1	noname	-0.0418
4	C3     0.5485    -2.3047    -0.0314	C.3	1	noname	0.0340
5	C4     0.0410     1.2767     0.7145	C.2	1	noname	-0.0486
6	C5     0.2627    -0.6407     2.1536	C.2	1	noname	-0.0486
7	N1     0.3142    -3.1882    -1.1724	N.3	1	noname	-0.3144
8	C6     2.0479    -2.0310     0.1023	C.3	1	noname	-0.0469
9	C7     0.2638     2.1167     1.7993	C.2	1	noname	-0.0583
10	C8     0.4854     0.1993     3.2384	C.2	1	noname	-0.0583
11	C9     1.0233    -4.4498    -0.9655	C.3	1	noname	-0.0160
12	C10     0.4860     1.5780     3.0613	C.2	1	noname	-0.0610
13	H1    -1.9765    -1.3097     0.5018	H	1	noname	0.2109
14	H2     0.1139    -0.4722    -1.1596	H	1	noname	0.0668
15	H3     0.1707    -2.8180     0.8529	H	1	noname	0.0492
16	H4    -0.1333     1.6991    -0.2751	H	1	noname	0.0626
17	H5     0.2622    -1.7218     2.2925	H	1	noname	0.0626
18	H6    -0.2502    -2.9619    -1.9788	H	1	noname	0.1222
19	H7     2.3157    -1.9821     1.1578	H	1	noname	0.0247
20	H8     2.6079    -2.8335    -0.3778	H	1	noname	0.0247
21	H9     2.2884    -1.0824    -0.3778	H	1	noname	0.0247
22	H10     0.2642     3.1978     1.6604	H	1	noname	0.0622
23	H11     0.6597    -0.2231     4.2280	H	1	noname	0.0622
24	H12     1.1283    -4.6366     0.1032	H	1	noname	0.0391
25	H13     0.4594    -5.2628    -1.4227	H	1	noname	0.0391
26	H14     2.0110    -4.3907    -1.4227	H	1	noname	0.0391
27	H15     0.6607     2.2367     3.9120	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	6	10	2
10	7	11	1
11	9	12	2
12	10	12	1
13	1	13	1
14	2	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	8	19	1
20	8	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	11	25	1
26	11	26	1
27	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1