@<TRIPOS>MOLECULE
91936865
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7126    -1.1491    -1.2973	O.3	1	noname	-0.3867
2	N1    -0.0713    -3.6245     0.2857	N.3	1	noname	-0.3144
3	C1     0.7500    -2.3870     0.2083	C.3	1	noname	0.0340
4	C2    -0.0229    -1.0404    -0.0551	C.3	1	noname	0.0941
5	C3     0.7499     0.2408     0.0271	C.2	1	noname	-0.0418
6	C4     1.8036    -2.7200    -0.8855	C.3	1	noname	-0.0469
7	C5     0.0988     1.4702    -0.2811	C.2	1	noname	-0.0486
8	C6     2.1223     0.2940     0.3988	C.2	1	noname	-0.0486
9	C7    -1.0193    -3.7397     1.3978	C.3	1	noname	-0.0160
10	C8     0.8246     2.6808    -0.3139	C.2	1	noname	-0.0583
11	C9     2.8669     1.4766     0.2556	C.2	1	noname	-0.0583
12	C10     2.2176     2.6783    -0.0733	C.2	1	noname	-0.0610
13	H1     1.3245    -2.2942     1.1317	H	1	noname	0.0492
14	H2    -0.7998    -0.9467     0.6881	H	1	noname	0.0668
15	H3     2.4025    -1.8652    -1.2191	H	1	noname	0.0247
16	H4     1.3060    -3.1720    -1.7436	H	1	noname	0.0247
17	H5     2.4653    -3.4882    -0.4856	H	1	noname	0.0247
18	H6    -0.5651    -3.7616    -0.5985	H	1	noname	0.1222
19	H7    -0.9073     1.4884    -0.5050	H	1	noname	0.0626
20	H8     2.6267    -0.5237     0.7509	H	1	noname	0.0626
21	H9    -1.3465    -1.8953    -1.2548	H	1	noname	0.2109
22	H10    -1.5479    -4.6904     1.3276	H	1	noname	0.0391
23	H11    -1.7369    -2.9206     1.3498	H	1	noname	0.0391
24	H12    -0.4782    -3.6938     2.3428	H	1	noname	0.0391
25	H13     0.3379     3.5620    -0.5198	H	1	noname	0.0622
26	H14     3.8867     1.4474     0.3804	H	1	noname	0.0622
27	H15     2.7641     3.5400    -0.1570	H	1	noname	0.0622
@<TRIPOS>BOND
1	4	1	1
2	1	21	1
3	3	2	1
4	2	9	1
5	2	18	1
6	3	4	1
7	3	6	1
8	3	13	1
9	4	5	1
10	4	14	1
11	5	7	2
12	5	8	1
13	6	15	1
14	6	16	1
15	6	17	1
16	7	10	1
17	7	19	1
18	8	11	2
19	8	20	1
20	9	22	1
21	9	23	1
22	9	24	1
23	10	12	2
24	10	25	1
25	11	12	1
26	11	26	1
27	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1