@<TRIPOS>MOLECULE
DB07096
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2225     0.8342    -1.2238	O.2	1	noname	-0.2891
2	C1     2.1044     0.9483    -0.6767	C.2	1	noname	0.0473
3	N1     1.5272     2.2799    -0.3368	N.3	1	noname	0.0747
4	C2     1.2787    -0.2332    -0.3299	C.2	1	noname	-0.0227
5	C3     0.0515     2.4380    -0.1596	C.2	1	noname	0.0540
6	C4    -0.0734    -0.0769     0.1149	C.2	1	noname	0.0234
7	C5     1.8333    -1.5348    -0.4639	C.2	1	noname	-0.0125
8	O2    -0.5147     3.5442    -0.2943	O.2	1	noname	-0.2885
9	C6    -0.7005     1.2130     0.1835	C.2	1	noname	0.0130
10	C7    -0.8352    -1.2523     0.4830	C.2	1	noname	-0.0261
11	C8     1.0525    -2.6892    -0.1755	C.2	1	noname	-0.0496
12	C9    -2.0406     1.3260     0.6421	C.2	1	noname	-0.0104
13	C10    -0.2758    -2.5448     0.3051	C.2	1	noname	-0.0030
14	C11    -2.1609    -1.1102     0.9668	C.2	1	noname	-0.0265
15	C12    -2.7518     0.1746     1.0512	C.2	1	noname	-0.0398
16	N2    -1.0040    -3.6326     0.5918	N.3	1	noname	-0.1486
17	H1     2.1376     3.0769    -0.2261	H	1	noname	0.1407
18	H2     2.8669    -1.6487    -0.7909	H	1	noname	0.0631
19	H3     1.4720    -3.6844    -0.3227	H	1	noname	0.0639
20	H4    -2.5258     2.3013     0.6802	H	1	noname	0.0630
21	H5    -2.7265    -1.9898     1.2742	H	1	noname	0.0629
22	H6    -3.7664     0.2786     1.4357	H	1	noname	0.0623
23	H7    -2.0052    -3.5559     0.6998	H	1	noname	0.1243
24	H8    -0.5515    -4.5291     0.6998	H	1	noname	0.1243
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	5	9	1
9	6	10	1
10	6	9	2
11	7	11	1
12	9	12	1
13	10	13	1
14	10	14	2
15	11	13	2
16	12	15	2
17	13	16	1
18	14	15	1
19	3	17	1
20	7	18	1
21	11	19	1
22	12	20	1
23	14	21	1
24	15	22	1
25	16	23	1
26	16	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1