@<TRIPOS>MOLECULE
91696117
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6434    -0.8915     0.6110	O.2	1	noname	-0.2920
2	N1     1.0897    -3.2619     0.0153	N.3	1	noname	-0.3076
3	C1    -0.0813    -2.4854     0.5073	C.3	1	noname	0.0680
4	C2    -0.5678    -0.3555    -1.3818	C.2	1	noname	-0.0243
5	C3    -0.7178    -1.2562    -0.1797	C.2	1	noname	0.0996
6	C4     0.4051    -0.2606    -2.4559	C.2	1	noname	-0.0145
7	C5    -1.1663    -3.5919     0.7315	C.3	1	noname	-0.0423
8	C6     1.6390    -1.0159    -2.8320	C.3	1	noname	0.0125
9	C7     1.8739    -4.2347     0.8500	C.3	1	noname	-0.0070
10	C8    -1.5900     0.6721    -1.4919	C.2	1	noname	-0.0196
11	C9     0.3056     0.7535    -3.4743	C.2	1	noname	-0.0532
12	C10    -1.6687     1.6605    -2.5000	C.2	1	noname	-0.0575
13	C11     2.3915    -2.1961    -2.2493	C.3	1	noname	-0.0613
14	C12    -0.7179     1.7023    -3.5005	C.2	1	noname	-0.0417
15	C13     2.9998    -4.8376     0.0075	C.3	1	noname	-0.0527
16	H1     0.2145    -2.1186     1.5047	H	1	noname	0.0547
17	H2     0.8604    -3.6914    -0.8832	H	1	noname	0.1229
18	H3    -2.0839    -3.1320     1.0982	H	1	noname	0.0251
19	H4    -1.3665    -4.1007    -0.2114	H	1	noname	0.0251
20	H5    -0.8037    -4.3133     1.4637	H	1	noname	0.0251
21	H6     1.7499    -1.0138    -3.9164	H	1	noname	0.0313
22	H7     2.3595    -0.2221    -2.6352	H	1	noname	0.0313
23	H8     1.2141    -5.0298     1.1971	H	1	noname	0.0425
24	H9     2.3003    -3.7157     1.7084	H	1	noname	0.0425
25	H10    -2.3558     0.7741    -0.8261	H	1	noname	0.0630
26	H11     0.9553     0.8902    -4.2741	H	1	noname	0.0625
27	H12    -2.4324     2.3524    -2.4982	H	1	noname	0.0622
28	H13     3.2613    -2.4143    -2.8690	H	1	noname	0.0234
29	H14     1.7368    -3.0671    -2.2225	H	1	noname	0.0234
30	H15     2.7175    -1.9554    -1.2374	H	1	noname	0.0234
31	H16    -0.7617     2.4116    -4.2487	H	1	noname	0.0622
32	H17     3.5686    -5.5433     0.6130	H	1	noname	0.0243
33	H18     2.5733    -5.3566    -0.8509	H	1	noname	0.0243
34	H19     3.6596    -4.0424    -0.3397	H	1	noname	0.0243
@<TRIPOS>BOND
1	1	5	2
2	2	3	1
3	2	9	1
4	2	17	1
5	3	5	1
6	3	7	1
7	3	16	1
8	4	5	1
9	4	6	1
10	4	10	2
11	6	8	1
12	6	11	2
13	7	18	1
14	7	19	1
15	7	20	1
16	8	13	1
17	8	21	1
18	8	22	1
19	9	15	1
20	9	23	1
21	9	24	1
22	10	12	1
23	10	25	1
24	11	14	1
25	11	26	1
26	12	14	2
27	12	27	1
28	13	28	1
29	13	29	1
30	13	30	1
31	14	31	1
32	15	32	1
33	15	33	1
34	15	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1