@<TRIPOS>MOLECULE
DB07196
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -4.5932    -4.4064     0.0000	S.3	1	noname	-0.2226
2	C1    -3.9431    -2.7567     0.0000	C.2	1	noname	0.0264
3	C2    -6.3247    -4.0920     0.0000	C.2	1	noname	0.0061
4	C3    -2.5696    -2.2548     0.0000	C.2	1	noname	-0.0258
5	C4    -5.1279    -2.0274     0.0000	C.2	1	noname	-0.0203
6	C5    -6.3624    -2.6978     0.0000	C.2	1	noname	-0.0258
7	C6    -2.1552    -0.8458     0.0000	C.2	1	noname	-0.0256
8	C7    -1.5257    -3.2428     0.0000	C.2	1	noname	-0.0359
9	C8    -0.7752    -0.4857     0.0000	C.2	1	noname	-0.0460
10	C9    -2.8785     0.4589     0.0000	C.3	1	noname	0.0209
11	C10    -0.1536    -2.8557     0.0000	C.2	1	noname	-0.0541
12	C11     0.2214    -1.4966     0.0000	C.2	1	noname	-0.0514
13	N1    -4.3264     0.6800    -0.0000	N.3	1	noname	-0.3156
14	C12    -4.6000     2.1162    -0.0000	C.3	1	noname	-0.0161
15	H1    -7.2438    -4.6779     0.0000	H	1	noname	0.0739
16	H2    -5.0893    -0.9381     0.0000	H	1	noname	0.0637
17	H3    -7.3099    -2.1589     0.0000	H	1	noname	0.0631
18	H4    -1.7788    -4.3030     0.0000	H	1	noname	0.0629
19	H5    -0.4816     0.5640    -0.0000	H	1	noname	0.0626
20	H6    -2.5756     0.9120     0.9440	H	1	noname	0.0478
21	H7    -2.5756     0.9120    -0.9440	H	1	noname	0.0478
22	H8     0.6270    -3.6166     0.0000	H	1	noname	0.0622
23	H9     1.2779    -1.2283     0.0000	H	1	noname	0.0622
24	H10    -5.0282    -0.0463     0.0000	H	1	noname	0.1222
25	H11    -4.6681     2.4731     1.0277	H	1	noname	0.0391
26	H12    -3.7938     2.6397    -0.5138	H	1	noname	0.0391
27	H13    -5.5423     2.3065    -0.5138	H	1	noname	0.0391
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	4	7	2
7	4	8	1
8	5	6	1
9	7	9	1
10	7	10	1
11	8	11	2
12	9	12	2
13	10	13	1
14	11	12	1
15	13	14	1
16	3	15	1
17	5	16	1
18	6	17	1
19	8	18	1
20	9	19	1
21	10	20	1
22	10	21	1
23	11	22	1
24	12	23	1
25	13	24	1
26	14	25	1
27	14	26	1
28	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1