@<TRIPOS>MOLECULE
DB07472
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.0368     1.2487    -0.5354	S.3	1	noname	-0.1280
2	C1     1.3315     1.9117    -0.5484	C.3	1	noname	0.1259
3	C2     2.9845     0.3113    -2.0939	C.3	1	noname	0.0092
4	N1     0.5980     0.8974    -1.3760	N.3	1	noname	-0.0503
5	C3     1.2852     3.3118    -1.2312	C.2	1	noname	-0.0414
6	C4     0.7491     1.7619     0.7937	C.2	1	noname	0.0031
7	C5     1.5067    -0.1294    -1.9985	C.3	1	noname	0.0174
8	C6    -0.4659     0.2363    -0.5595	C.2	1	noname	0.0241
9	C7     0.0775     3.9906    -1.3438	C.2	1	noname	-0.0522
10	C8     2.4517     3.8818    -1.7278	C.2	1	noname	-0.0558
11	C9    -0.2830     0.7948     0.7779	C.2	1	noname	0.0032
12	C10     1.1582     2.3772     2.0141	C.2	1	noname	-0.0315
13	O1    -1.3153    -0.6006    -0.9345	O.2	1	noname	-0.2928
14	C11     0.0363     5.2394    -1.9529	C.2	1	noname	-0.0553
15	C12     2.4105     5.1305    -2.3368	C.2	1	noname	-0.0598
16	C13    -0.9900     0.4259     1.9513	C.2	1	noname	-0.0140
17	C14     0.4862     1.9851     3.2155	C.2	1	noname	-0.0406
18	C15     1.2028     5.8094    -2.4494	C.2	1	noname	-0.0660
19	C16    -1.2323     5.9524    -2.0711	C.3	1	noname	-0.0019
20	C17    -0.5744     1.0317     3.1836	C.2	1	noname	-0.0452
21	H1     3.0687     0.9713    -2.9573	H	1	noname	0.0394
22	H2     3.5940    -0.5904    -2.0356	H	1	noname	0.0394
23	H3     1.1544    -0.2410    -3.0239	H	1	noname	0.0445
24	H4     1.4854    -0.9816    -1.3191	H	1	noname	0.0445
25	H5    -0.8372     3.5437    -0.9544	H	1	noname	0.0629
26	H6     3.3988     3.3494    -1.6395	H	1	noname	0.0626
27	H7     1.9557     3.1201     2.0280	H	1	noname	0.0626
28	H8     3.3253     5.5775    -2.7262	H	1	noname	0.0622
29	H9    -1.8124    -0.2882     1.9082	H	1	noname	0.0630
30	H10     0.7866     2.4192     4.1691	H	1	noname	0.0622
31	H11     1.1704     6.7886    -2.9270	H	1	noname	0.0625
32	H12    -1.6205     6.1706    -1.0762	H	1	noname	0.0279
33	H13    -1.0756     6.8853    -2.6126	H	1	noname	0.0279
34	H14    -1.9478     5.3337    -2.6126	H	1	noname	0.0279
35	H15    -1.0743     0.7623     4.1140	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	2	6	1
6	3	7	1
7	4	8	1
8	4	7	1
9	5	9	2
10	5	10	1
11	6	11	2
12	6	12	1
13	8	13	2
14	8	11	1
15	9	14	1
16	10	15	2
17	11	16	1
18	12	17	2
19	14	18	2
20	14	19	1
21	15	18	1
22	16	20	2
23	17	20	1
24	3	21	1
25	3	22	1
26	7	23	1
27	7	24	1
28	9	25	1
29	10	26	1
30	12	27	1
31	15	28	1
32	16	29	1
33	17	30	1
34	18	31	1
35	19	32	1
36	19	33	1
37	19	34	1
38	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1