@<TRIPOS>MOLECULE
DB01782
25 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.8694    -1.8460     1.0565	O.2	1	noname	-0.2951
2	C1    -2.1141    -0.9517     0.6183	C.2	1	noname	0.0734
3	C2    -2.6353     0.3484     0.0137	C.2	1	noname	0.0111
4	C3    -0.6275    -1.0655     0.6423	C.2	1	noname	0.0143
5	C4    -1.7518     1.4329    -0.3712	C.2	1	noname	0.0113
6	C5    -4.0498     0.4907    -0.1282	C.2	1	noname	-0.0111
7	C6     0.1237     0.0362     0.1892	C.2	1	noname	0.0348
8	C7     0.1161    -2.2078     1.0624	C.2	1	noname	-0.0174
9	C8    -0.3503     1.2418    -0.2566	C.2	1	noname	0.0528
10	C9    -2.2614     2.6752    -0.8621	C.2	1	noname	-0.0187
11	C10    -4.5507     1.7298    -0.6222	C.2	1	noname	-0.0368
12	C11     1.5091     0.0839     0.1490	C.2	1	noname	-0.0431
13	C12     1.5456    -2.2230     0.9575	C.2	1	noname	-0.0383
14	N1     0.7307     2.0279    -0.4497	N.2	1	noname	-0.2874
15	C13    -3.6705     2.8031    -0.9739	C.2	1	noname	-0.0344
16	N2     1.8191     1.3466    -0.2170	N.3	1	noname	-0.0063
17	C14     2.2563    -1.0719     0.4850	C.2	1	noname	-0.0243
18	H1    -4.7271    -0.3224     0.1329	H	1	noname	0.0630
19	H2    -0.4104    -3.0729     1.4653	H	1	noname	0.0630
20	H3    -1.5997     3.4951    -1.1412	H	1	noname	0.0629
21	H4    -5.6273     1.8592    -0.7333	H	1	noname	0.0622
22	H5     2.0979    -3.1192     1.2400	H	1	noname	0.0623
23	H6    -4.0847     3.7437    -1.3367	H	1	noname	0.0622
24	H7     2.7482     1.7329    -0.3055	H	1	noname	0.1754
25	H8     3.3415    -1.0754     0.3833	H	1	noname	0.0643
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	2
11	7	12	1
12	7	9	1
13	8	13	2
14	9	14	2
15	10	15	2
16	11	15	1
17	12	16	1
18	12	17	2
19	13	17	1
20	14	16	1
21	6	18	1
22	8	19	1
23	10	20	1
24	11	21	1
25	13	22	1
26	15	23	1
27	16	24	1
28	17	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1