@<TRIPOS>MOLECULE
91936872
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.6730    -2.3358     0.6097	O.3	1	noname	-0.1876
2	O2     0.3759     0.4611    -0.1331	O.3	1	noname	-0.3242
3	O3     3.8231    -3.8066     0.0938	O.2	1	noname	-0.2383
4	O4    -1.0468     2.4471    -0.9796	O.3	1	noname	-0.2167
5	O5    -2.4489     1.1155    -0.5312	O.2	1	noname	-0.2450
6	N1     4.0681    -1.4952    -0.5570	N.3	1	noname	0.0982
7	N2     3.0144    -0.8134    -0.3847	N.2	1	noname	-0.2406
8	N3    -1.5961     1.7613    -0.0696	N.2	1	noname	-0.1664
9	C1     6.3240    -1.6262    -0.4457	C.3	1	noname	0.0811
10	C2     5.1872    -0.9793    -1.2477	C.3	1	noname	0.0574
11	C3     7.2151    -0.5335     0.1481	C.3	1	noname	-0.0366
12	C4     4.4275    -2.7132     0.0541	C.2	1	noname	0.0992
13	C5     2.1887    -0.9661     0.5782	C.2	1	noname	0.0617
14	C6     1.0498    -0.2744     0.7638	C.2	1	noname	0.0605
15	C7     0.3796    -0.2636     1.9777	C.2	1	noname	0.0313
16	C8    -0.7085     0.9796     0.4819	C.2	1	noname	0.1176
17	C9    -0.7209     0.5425     1.7968	C.2	1	noname	0.0512
18	H1     6.8514    -2.3367    -1.0822	H	1	noname	0.0621
19	H2     5.1954    -1.3664    -2.2666	H	1	noname	0.0484
20	H3     5.1560     0.1102    -1.2438	H	1	noname	0.0484
21	H4     7.7118     0.0078    -0.6571	H	1	noname	0.0257
22	H5     6.6042     0.1582     0.7282	H	1	noname	0.0257
23	H6     7.9643    -0.9881     0.7964	H	1	noname	0.0257
24	H7     2.4075    -1.6587     1.2509	H	1	noname	0.0881
25	H8     0.6479    -0.7535     2.8312	H	1	noname	0.0652
26	H9    -1.4192     0.7760     2.5026	H	1	noname	0.0680
27	H10    -1.7134     3.0341    -1.3937	H	1	noname	0.2598
28	H11    -1.9538     2.3326     0.5784	H	1	noname	0.2799
@<TRIPOS>BOND
1	1	9	1
2	1	12	1
3	2	14	1
4	2	16	1
5	3	12	2
6	4	8	1
7	4	27	1
8	5	8	2
9	6	7	1
10	6	10	1
11	6	12	1
12	7	13	2
13	8	16	1
14	8	28	1
15	9	10	1
16	9	11	1
17	9	18	1
18	10	19	1
19	10	20	1
20	11	21	1
21	11	22	1
22	11	23	1
23	13	14	1
24	13	24	1
25	14	15	2
26	15	17	1
27	15	25	1
28	16	17	2
29	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1