@<TRIPOS>MOLECULE
DB03992
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2694    -1.3888     0.2674	O.2	1	noname	-0.2963
2	C1    -0.1141    -0.9158     0.3321	C.2	1	noname	0.0113
3	N1     0.9476    -1.7322     0.2886	N.3	1	noname	-0.0765
4	C2     0.0692     0.4571     0.4490	C.2	1	noname	-0.0117
5	C3     0.8749    -2.9458    -0.4255	C.3	1	noname	0.0278
6	C4     1.3538     0.9831     0.5209	C.2	1	noname	-0.0185
7	C5    -1.0321     1.3040     0.4941	C.2	1	noname	-0.0185
8	C6     2.2112    -3.6828    -0.3160	C.3	1	noname	0.1043
9	C7     1.5372     2.3560     0.6378	C.2	1	noname	-0.0466
10	C8    -0.8487     2.6769     0.6110	C.2	1	noname	-0.0466
11	N2     2.1359    -4.9412    -1.0565	N.3	1	noname	-0.3183
12	C9     2.5001    -3.9608     1.0878	C.2	1	noname	0.1443
13	C10     0.4359     3.2029     0.6829	C.2	1	noname	-0.0449
14	O2     3.5343    -3.4988     1.6165	O.2	1	noname	-0.2492
15	O3     1.6502    -4.7167     1.8150	O.3	1	noname	-0.2137
16	H1     1.7800    -1.4408     0.7808	H	1	noname	0.1314
17	H2     0.1173    -3.5378     0.0880	H	1	noname	0.0454
18	H3     0.7292    -2.6594    -1.4671	H	1	noname	0.0454
19	H4     2.2174     0.3190     0.4855	H	1	noname	0.0630
20	H5    -2.0394     0.8915     0.4377	H	1	noname	0.0630
21	H6     3.0351    -3.0962    -0.7225	H	1	noname	0.0585
22	H7     2.5445     2.7684     0.6941	H	1	noname	0.0622
23	H8    -1.7123     3.3410     0.6464	H	1	noname	0.0622
24	H9     1.2367    -5.3235    -1.3123	H	1	noname	0.1192
25	H10     2.9830    -5.4281    -1.3123	H	1	noname	0.1192
26	H11     0.5797     4.2794     0.7746	H	1	noname	0.0622
27	H12     1.8131    -4.5719     2.7500	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	2
10	8	11	1
11	8	12	1
12	9	13	2
13	10	13	1
14	12	14	2
15	12	15	1
16	3	16	1
17	5	17	1
18	5	18	1
19	6	19	1
20	7	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	11	25	1
26	13	26	1
27	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1