@<TRIPOS>MOLECULE
DB02878
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9485    -1.3356    -3.8970	O.2	1	noname	-0.2559
2	C1     1.0122    -0.5144    -2.9568	C.2	1	noname	0.1349
3	O2     1.3218     0.7756    -3.2070	O.3	1	noname	-0.2188
4	C2     0.7519    -0.9504    -1.5879	C.3	1	noname	0.0366
5	C3     0.8943     0.2403    -0.6377	C.3	1	noname	-0.0268
6	C4     0.6215    -0.2165     0.7968	C.3	1	noname	-0.0251
7	C5    -0.1105     1.3265    -1.0269	C.3	1	noname	-0.0372
8	C6     1.6263    -1.3027     1.1860	C.3	1	noname	-0.0045
9	C7     0.7639     0.9741     1.7470	C.3	1	noname	-0.0396
10	C8    -1.5306     0.7652    -0.9318	C.3	1	noname	-0.0073
11	N1     2.9833    -0.7664     1.0951	N.3	1	noname	-0.3301
12	C9     0.4911     0.5173     3.1815	C.3	1	noname	0.0338
13	N2    -2.4908     1.8031    -1.3037	N.3	1	noname	-0.3304
14	C10     0.6270     1.6534     4.0883	C.2	1	noname	0.1348
15	O3     0.4448     1.4991     5.3153	O.2	1	noname	-0.2559
16	O4     0.9495     2.8707     3.6016	O.3	1	noname	-0.2189
17	H1     1.4343     1.2445    -2.3769	H	1	noname	0.2213
18	H2    -0.2914    -1.2653    -1.5670	H	1	noname	0.0375
19	H3     1.5409    -1.6619    -1.3447	H	1	noname	0.0375
20	H4     1.9060     0.6402    -0.7054	H	1	noname	0.0312
21	H5    -0.3903    -0.6164     0.8645	H	1	noname	0.0318
22	H6    -0.0317     2.1119    -0.2753	H	1	noname	0.0282
23	H7     0.0669     1.5574    -2.0772	H	1	noname	0.0282
24	H8     1.4659    -1.5371     2.2383	H	1	noname	0.0428
25	H9     1.5645    -2.0916     0.4364	H	1	noname	0.0428
26	H10     1.8082     1.2840     1.7088	H	1	noname	0.0275
27	H11    -0.0242     1.6806     1.4865	H	1	noname	0.0275
28	H12    -1.6264    -0.0164    -1.6855	H	1	noname	0.0425
29	H13    -1.7250     0.5381     0.1164	H	1	noname	0.0425
30	H14     3.7736    -1.3945     1.0638	H	1	noname	0.1184
31	H15     3.1305     0.2324     1.0638	H	1	noname	0.1184
32	H16    -0.5541     0.2129     3.2369	H	1	noname	0.0372
33	H17     1.2783    -0.1837     3.4592	H	1	noname	0.0372
34	H18    -2.1804     2.7555    -1.4321	H	1	noname	0.1184
35	H19    -3.4645     1.5676    -1.4321	H	1	noname	0.1184
36	H20     1.1095     3.4746     4.3305	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	4	1
5	5	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	8	11	1
11	9	12	1
12	10	13	1
13	12	14	1
14	14	15	2
15	14	16	1
16	3	17	1
17	4	18	1
18	4	19	1
19	5	20	1
20	6	21	1
21	7	22	1
22	7	23	1
23	8	24	1
24	8	25	1
25	9	26	1
26	9	27	1
27	10	28	1
28	10	29	1
29	11	30	1
30	11	31	1
31	12	32	1
32	12	33	1
33	13	34	1
34	13	35	1
35	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1