@<TRIPOS>MOLECULE
DB01983
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.4231    -1.2480     0.4674	O.2	1	noname	-0.2496
2	C1     3.1938    -1.4460     0.5767	C.2	1	noname	0.1437
3	O2     2.7122    -2.1336     1.6339	O.3	1	noname	-0.2140
4	C2     2.2787    -0.9336    -0.4390	C.3	1	noname	0.0912
5	N1     1.5496    -2.0470    -1.0443	N.3	1	noname	-0.3194
6	C3     1.2862     0.0333     0.2097	C.3	1	noname	-0.0284
7	C4     0.3273     0.5702    -0.8547	C.3	1	noname	-0.0535
8	C5    -0.6652     1.5372    -0.2059	C.3	1	noname	-0.0639
9	C6    -1.6241     2.0741    -1.2704	C.3	1	noname	0.0397
10	B1    -2.6879     3.1106    -0.5749	B	1	noname	-0.2748
11	O3    -3.6469     3.6475    -1.6394	O.3	1	noname	-0.4162
12	O4    -3.4845     2.3754     0.5049	O.3	1	noname	-0.4162
13	O5    -1.9249     4.2757     0.0585	O.3	1	noname	-0.4162
14	H1     2.7891    -3.0755     1.4650	H	1	noname	0.2213
15	H2     2.8705    -0.4502    -1.2163	H	1	noname	0.0571
16	H3     0.5660    -1.9524    -1.2533	H	1	noname	0.1191
17	H4     2.0295    -2.9108    -1.2533	H	1	noname	0.1191
18	H5     0.6867    -0.5520     0.9069	H	1	noname	0.0288
19	H6     1.8651     0.8839     0.5696	H	1	noname	0.0288
20	H7     0.9269     1.1555    -1.5519	H	1	noname	0.0266
21	H8    -0.2516    -0.2804    -1.2145	H	1	noname	0.0266
22	H9    -1.2647     0.9519     0.4913	H	1	noname	0.0242
23	H10    -0.0863     2.3878     0.1539	H	1	noname	0.0242
24	H11    -1.0037     2.6435    -1.9625	H	1	noname	0.0079
25	H12    -2.1821     1.2076    -1.6251	H	1	noname	0.0079
26	H13    -4.3969     4.0674    -1.2119	H	1	noname	0.1620
27	H14    -3.1816     2.6549     1.3720	H	1	noname	0.1620
28	H15    -1.9706     4.2059     1.0148	H	1	noname	0.1620
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	10	12	1
12	10	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	7	20	1
20	7	21	1
21	8	22	1
22	8	23	1
23	9	24	1
24	9	25	1
25	11	26	1
26	12	27	1
27	13	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1