@<TRIPOS>MOLECULE
81689826
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8123    -2.8858    -0.0069	O.3	1	noname	-0.2187
2	O2    -1.8446    -1.2989    -1.2268	O.2	1	noname	-0.2557
3	N1     0.5430     0.2480    -3.3212	N.3	1	noname	-0.3298
4	C1    -0.0809     0.6237    -0.9890	C.3	1	noname	-0.0013
5	C2     1.0642     1.6146    -0.7320	C.3	1	noname	-0.0125
6	C3     0.1218     2.4545     0.1430	C.3	1	noname	-0.0301
7	C4    -1.0317     1.4630    -0.1116	C.3	1	noname	-0.0415
8	C5     0.5629     2.3592     1.6049	C.3	1	noname	-0.0285
9	C6     2.0546     0.9950     0.0928	C.2	1	noname	-0.0787
10	C7     0.2241    -0.7013    -0.2874	C.3	1	noname	0.0409
11	C8    -0.5640     0.6179    -2.4407	C.3	1	noname	-0.0009
12	C9     1.7909     1.4087     1.4403	C.2	1	noname	-0.0764
13	C10     2.5903     0.9838     2.5473	C.3	1	noname	-0.0348
14	C11    -0.8644    -1.6431    -0.5317	C.2	1	noname	0.1351
15	C12     2.0149    -0.3110     3.1247	C.3	1	noname	-0.0616
16	H1     1.3465     2.0523    -1.6895	H	1	noname	0.0355
17	H2    -0.2233     3.3984    -0.2790	H	1	noname	0.0312
18	H3    -1.7850     1.9360    -0.7417	H	1	noname	0.0276
19	H4    -1.3525     0.9411     0.7900	H	1	noname	0.0276
20	H5    -0.2104     1.8566     2.1857	H	1	noname	0.0315
21	H6     0.8720     3.2904     2.0798	H	1	noname	0.0315
22	H7     2.7825     0.3955    -0.2086	H	1	noname	0.0578
23	H8     0.3230    -0.5305     0.7846	H	1	noname	0.0379
24	H9     1.1551    -1.1129    -0.6772	H	1	noname	0.0379
25	H10    -1.3732    -0.1040    -2.5514	H	1	noname	0.0431
26	H11    -0.9243     1.6113    -2.7077	H	1	noname	0.0431
27	H12     2.5874     1.7570     3.3156	H	1	noname	0.0309
28	H13     3.6124     0.8091     2.2115	H	1	noname	0.0309
29	H14     0.2203     0.2440    -4.2909	H	1	noname	0.1184
30	H15     0.8808    -0.6835    -3.0708	H	1	noname	0.1184
31	H16     2.6242    -0.6348     3.9685	H	1	noname	0.0234
32	H17     0.9927    -0.1363     3.4605	H	1	noname	0.0234
33	H18     2.0178    -1.0842     2.3564	H	1	noname	0.0234
34	H19    -1.2442    -3.6326    -0.4719	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	14	1
2	1	34	1
3	2	14	2
4	3	11	1
5	3	29	1
6	3	30	1
7	4	5	1
8	4	7	1
9	4	10	1
10	4	11	1
11	5	6	1
12	5	9	1
13	5	16	1
14	6	7	1
15	6	8	1
16	6	17	1
17	7	18	1
18	7	19	1
19	8	12	1
20	8	20	1
21	8	21	1
22	9	12	2
23	9	22	1
24	10	14	1
25	10	23	1
26	10	24	1
27	11	25	1
28	11	26	1
29	12	13	1
30	13	15	1
31	13	27	1
32	13	28	1
33	15	31	1
34	15	32	1
35	15	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1