@<TRIPOS>MOLECULE
DB01685
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     4.6003     1.2697    -0.0613	N.1	1	noname	-0.1715
2	C1     3.4526     1.2481    -0.0506	C.1	1	noname	0.0958
3	C2     2.1609     1.2237    -0.0386	C.2	1	noname	0.0633
4	N2     1.4216     2.3911    -0.0178	N.2	1	noname	-0.1972
5	C3     1.4436    -0.0086    -0.0463	C.2	1	noname	0.0543
6	C4     0.0452     2.5043    -0.0526	C.2	1	noname	0.0213
7	C5     0.0055     0.0552    -0.0091	C.2	1	noname	0.0146
8	C6    -0.7078     1.2999    -0.0690	C.2	1	noname	0.0215
9	C7    -0.7704    -1.1029     0.2725	C.2	1	noname	0.0896
10	N3    -2.1010    -1.2432     0.1223	N.2	1	noname	-0.2893
11	N4    -0.3234    -2.2112     0.8772	N.2	1	noname	-0.1808
12	N5    -2.4771    -2.3755     0.6049	N.3	1	noname	-0.0029
13	C8    -1.3903    -2.9947     1.0846	C.2	1	noname	0.0082
14	C9    -1.3728    -4.2539     1.7050	C.2	1	noname	-0.0012
15	C10    -2.6131    -4.9795     1.8535	C.2	1	noname	0.0062
16	C11    -0.1129    -4.7838     2.1728	C.2	1	noname	0.0062
17	C12    -2.5645    -6.2523     2.4824	C.2	1	noname	0.0082
18	C13    -0.1216    -6.0610     2.7944	C.2	1	noname	0.0082
19	N6    -1.3342    -6.7201     2.9146	N.2	1	noname	-0.2434
20	H1     1.9732    -0.9608    -0.0792	H	1	noname	0.0660
21	H2    -0.4209     3.4895    -0.0665	H	1	noname	0.0839
22	H3    -1.7959     1.3298    -0.1255	H	1	noname	0.0646
23	H4    -3.4302    -2.7098     0.6068	H	1	noname	0.1772
24	H5    -3.5622    -4.5766     1.4999	H	1	noname	0.0646
25	H6     0.8212    -4.2335     2.0597	H	1	noname	0.0646
26	H7    -3.4568    -6.8604     2.6309	H	1	noname	0.0839
27	H8     0.7877    -6.5280     3.1730	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	3
2	2	3	1
3	3	4	2
4	3	5	1
5	4	6	1
6	5	7	2
7	6	8	2
8	7	9	1
9	7	8	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	2
14	12	13	1
15	13	14	1
16	14	15	2
17	14	16	1
18	15	17	1
19	16	18	2
20	17	19	2
21	18	19	1
22	5	20	1
23	6	21	1
24	8	22	1
25	12	23	1
26	15	24	1
27	16	25	1
28	17	26	1
29	18	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1