@<TRIPOS>MOLECULE
121225693
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.6751    -2.7887    -0.2095	S.3	1	noname	-0.1565
2	N1     0.8223    -6.7126     0.2200	N.3	1	noname	-0.3030
3	C1     1.6982    -0.0865     0.1241	C.3	1	noname	-0.0229
4	C2     0.9138     0.3195    -1.1234	C.3	1	noname	-0.0337
5	C3     0.6144     0.9897     0.2193	C.3	1	noname	-0.0337
6	C4    -0.3658    -1.0205     0.1814	C.3	1	noname	-0.0286
7	C5     1.0487    -1.3546     0.6799	C.3	1	noname	0.0110
8	C6    -0.2048    -0.7058    -1.3139	C.3	1	noname	-0.0459
9	C7    -0.6488     0.3435     0.8033	C.3	1	noname	-0.0459
10	C8     0.9107    -4.2813     0.4446	C.3	1	noname	0.0064
11	C9     1.4431    -5.5003    -0.3113	C.3	1	noname	0.0073
12	C10     1.3310    -7.8775    -0.5024	C.3	1	noname	-0.0046
13	C11    -0.6278    -6.6309     0.0531	C.3	1	noname	-0.0046
14	C12     2.8486    -7.9631    -0.3278	C.3	1	noname	-0.0524
15	C13    -1.2776    -7.8996     0.6091	C.3	1	noname	-0.0524
16	H1     2.7422     0.2255     0.1524	H	1	noname	0.0320
17	H2     0.9629     2.0119     0.3672	H	1	noname	0.0309
18	H3     1.4270     0.8991    -1.8907	H	1	noname	0.0309
19	H4    -1.1194    -1.7776     0.3979	H	1	noname	0.0314
20	H5     1.1026    -1.5087     1.7576	H	1	noname	0.0422
21	H6    -1.1007    -0.2027    -1.6778	H	1	noname	0.0273
22	H7     0.0511    -1.5576    -1.9440	H	1	noname	0.0273
23	H8    -1.5305     0.7806     0.3345	H	1	noname	0.0273
24	H9    -0.7253     0.3583     1.8905	H	1	noname	0.0273
25	H10    -0.1704    -4.2204     0.3202	H	1	noname	0.0393
26	H11     1.1497    -4.3777     1.5037	H	1	noname	0.0393
27	H12     1.2041    -5.4039    -1.3704	H	1	noname	0.0439
28	H13     2.5243    -5.5613    -0.1869	H	1	noname	0.0439
29	H14    -1.0071    -5.7624     0.5917	H	1	noname	0.0427
30	H15    -0.8669    -6.5345    -1.0060	H	1	noname	0.0427
31	H16     0.8682    -8.7813    -0.1063	H	1	noname	0.0427
32	H17     1.0920    -7.7811    -1.5615	H	1	noname	0.0427
33	H18     3.2279    -8.8315    -0.8663	H	1	noname	0.0243
34	H19     3.0876    -8.0595     0.7313	H	1	noname	0.0243
35	H20     3.3115    -7.0592    -0.7239	H	1	noname	0.0243
36	H21    -2.3587    -7.8386     0.4847	H	1	noname	0.0243
37	H22    -1.0386    -7.9960     1.6682	H	1	noname	0.0243
38	H23    -0.8983    -8.7680     0.0706	H	1	noname	0.0243
@<TRIPOS>BOND
1	1	7	1
2	1	10	1
3	2	11	1
4	2	12	1
5	2	13	1
6	3	4	1
7	3	5	1
8	3	7	1
9	3	16	1
10	4	5	1
11	4	8	1
12	4	18	1
13	5	9	1
14	5	17	1
15	6	7	1
16	6	8	1
17	6	9	1
18	6	19	1
19	7	20	1
20	8	21	1
21	8	22	1
22	9	23	1
23	9	24	1
24	10	11	1
25	10	25	1
26	10	26	1
27	11	27	1
28	11	28	1
29	12	14	1
30	12	31	1
31	12	32	1
32	13	15	1
33	13	29	1
34	13	30	1
35	14	33	1
36	14	34	1
37	14	35	1
38	15	36	1
39	15	37	1
40	15	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1