@<TRIPOS>MOLECULE
DB03851
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.1782    -3.1105    -1.8080	O.2	1	noname	-0.2559
2	C1     5.2408    -2.2838    -1.8198	C.2	1	noname	0.1348
3	O2     5.0258    -1.5224    -2.9137	O.3	1	noname	-0.2189
4	C2     4.3782    -2.1415    -0.6504	C.3	1	noname	0.0350
5	C3     3.3198    -1.0713    -0.9246	C.3	1	noname	-0.0277
6	C4     2.4159    -0.9222     0.3008	C.3	1	noname	0.0172
7	N1     1.4404     0.0641     0.0482	N.3	1	noname	-0.0575
8	C5     0.2191    -0.1374    -0.4947	C.2	1	noname	-0.0804
9	C6     1.5532     1.3878     0.3041	C.2	1	noname	-0.0804
10	C7    -0.4713     1.1009    -0.6175	C.2	1	noname	-0.0250
11	C8    -0.3748    -1.3580    -0.9290	C.2	1	noname	-0.0421
12	C9     0.4011     2.0810    -0.1531	C.2	1	noname	-0.0250
13	C10     2.6293     2.0876     0.9310	C.2	1	noname	-0.0421
14	C11    -1.7855     1.2002    -1.1674	C.2	1	noname	-0.0373
15	C12    -1.6878    -1.2726    -1.4830	C.2	1	noname	-0.0508
16	C13     0.2762     3.4993    -0.0946	C.2	1	noname	-0.0373
17	C14     2.5065     3.5048     1.0096	C.2	1	noname	-0.0508
18	C15    -2.3745    -0.0229    -1.6041	C.2	1	noname	-0.0535
19	C16     1.3675     4.1922     0.5025	C.2	1	noname	-0.0535
20	H1     4.8765    -2.0894    -3.6739	H	1	noname	0.2213
21	H2     3.8616    -3.0951    -0.5412	H	1	noname	0.0373
22	H3     5.0185    -1.7735     0.1513	H	1	noname	0.0373
23	H4     3.8505    -0.1263    -1.0409	H	1	noname	0.0288
24	H5     2.6937    -1.4479    -1.7334	H	1	noname	0.0288
25	H6     1.8604    -1.8513     0.4284	H	1	noname	0.0472
26	H7     3.0172    -0.5298     1.1209	H	1	noname	0.0472
27	H8     0.1492    -2.3098    -0.8417	H	1	noname	0.0642
28	H9     3.4999     1.5666     1.3292	H	1	noname	0.0642
29	H10    -2.3081     2.1533    -1.2489	H	1	noname	0.0629
30	H11    -2.1785    -2.1849    -1.8222	H	1	noname	0.0623
31	H12    -0.5989     4.0211    -0.4821	H	1	noname	0.0629
32	H13     3.3084     4.0807     1.4716	H	1	noname	0.0623
33	H14    -3.3730    -0.0020    -2.0407	H	1	noname	0.0622
34	H15     1.3299     5.2793     0.5734	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	7	9	1
9	8	10	2
10	8	11	1
11	9	12	2
12	9	13	1
13	10	14	1
14	10	12	1
15	11	15	2
16	12	16	1
17	13	17	2
18	14	18	2
19	15	18	1
20	16	19	2
21	17	19	1
22	3	20	1
23	4	21	1
24	4	22	1
25	5	23	1
26	5	24	1
27	6	25	1
28	6	26	1
29	11	27	1
30	13	28	1
31	14	29	1
32	15	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1