@<TRIPOS>MOLECULE
DB03274
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9761     0.1377    -1.6785	O.2	1	noname	-0.2476
2	C1     0.8933     0.7721    -0.6046	C.2	1	noname	0.1086
3	N1     1.4298     2.0273    -0.4815	N.2	1	noname	-0.1288
4	N2     0.2597     0.2319     0.4936	N.3	1	noname	0.0562
5	C2     1.3574     2.7507     0.6879	C.2	1	noname	0.0410
6	C3     0.1557     0.9508     1.6798	C.2	1	noname	-0.0438
7	C4    -0.3084    -1.0804     0.3144	C.3	1	noname	0.1254
8	O2     1.9186     3.9777     0.7335	O.3	1	noname	-0.2572
9	C5     0.7106     2.2464     1.8478	C.2	1	noname	0.0227
10	O3    -1.6605    -0.9652    -0.1388	O.3	1	noname	-0.3564
11	C6    -0.3543    -2.0736     1.4985	C.3	1	noname	0.0166
12	C7    -2.0740    -2.3327    -0.1114	C.3	1	noname	0.0829
13	C8    -1.5172    -2.9947     1.1545	C.3	1	noname	0.0839
14	C9    -3.6022    -2.4032    -0.0937	C.3	1	noname	-0.0360
15	O4    -1.0197    -4.2855     0.8340	O.3	1	noname	-0.3901
16	H1    -0.3790     0.4828     2.5063	H	1	noname	0.0759
17	H2     0.3842    -1.4431    -0.4452	H	1	noname	0.0788
18	H3     2.0389     4.2407     1.6488	H	1	noname	0.2199
19	H4     0.6460     2.8034     2.7826	H	1	noname	0.0677
20	H5     0.5584    -2.6692     1.4789	H	1	noname	0.0335
21	H6    -0.6242    -1.5193     2.3975	H	1	noname	0.0335
22	H7    -1.6723    -2.7899    -1.0157	H	1	noname	0.0628
23	H8    -2.2301    -3.1835     1.9571	H	1	noname	0.0628
24	H9    -3.9533    -2.4193     0.9380	H	1	noname	0.0258
25	H10    -4.0121    -1.5311    -0.6033	H	1	noname	0.0258
26	H11    -3.9301    -3.3092    -0.6033	H	1	noname	0.0258
27	H12    -0.8342    -4.7670     1.6435	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	1
6	7	4	1
7	5	8	1
8	5	9	1
9	6	9	2
10	7	10	1
11	7	11	1
12	10	12	1
13	11	13	1
14	12	14	1
15	12	13	1
16	13	15	1
17	6	16	1
18	7	17	1
19	8	18	1
20	9	19	1
21	11	20	1
22	11	21	1
23	12	22	1
24	13	23	1
25	14	24	1
26	14	25	1
27	14	26	1
28	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1