@<TRIPOS>MOLECULE
DB01367
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.0816    -0.2277    -0.6752	N.3	1	noname	-0.2992
2	C1     0.7404     0.3839    -0.7027	C.3	1	noname	0.0335
3	C2     2.9517     0.4629    -1.6256	C.3	1	noname	0.0579
4	C3    -0.2650    -0.1919     0.1976	C.2	1	noname	-0.0511
5	C4     0.7782     1.8634    -0.2576	C.3	1	noname	-0.0294
6	C5     4.1907    -0.1021    -1.6002	C.1	1	noname	-0.1006
7	C6    -0.6774     0.7318     1.1823	C.2	1	noname	-0.0482
8	C7    -0.8540    -1.4832     0.0932	C.2	1	noname	-0.0538
9	C8     0.0494     1.9909     1.0970	C.3	1	noname	0.0089
10	C9     5.2769    -0.5975    -1.5779	C.1	1	noname	-0.1092
11	C10    -1.6991     0.4218     2.1179	C.2	1	noname	-0.0625
12	C11    -1.9159    -1.7931     1.0005	C.2	1	noname	-0.0669
13	C12    -2.3305    -0.8572     1.9966	C.2	1	noname	-0.0627
14	H1     2.3622    -1.0036    -0.0926	H	1	noname	0.1237
15	H2     0.4600     0.1647    -1.7330	H	1	noname	0.0516
16	H3     2.5674     0.2789    -2.6289	H	1	noname	0.0567
17	H4     3.0898     1.4853    -1.2739	H	1	noname	0.0567
18	H5     1.8237     2.1157    -0.0804	H	1	noname	0.0289
19	H6     0.1968     2.4295    -0.9853	H	1	noname	0.0289
20	H7    -0.5073    -2.2027    -0.6486	H	1	noname	0.0626
21	H8     0.7871     1.9963     1.8994	H	1	noname	0.0316
22	H9    -0.6893     2.7896     1.0304	H	1	noname	0.0316
23	H10     5.5900    -0.7403    -0.5436	H	1	noname	0.1238
24	H11    -1.9854     1.1325     2.8931	H	1	noname	0.0625
25	H12    -2.4174    -2.7584     0.9317	H	1	noname	0.0622
26	H13    -3.1413    -1.1231     2.6748	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	6	10	3
10	7	11	1
11	7	9	1
12	8	12	2
13	11	13	2
14	12	13	1
15	1	14	1
16	2	15	1
17	3	16	1
18	3	17	1
19	5	18	1
20	5	19	1
21	8	20	1
22	9	21	1
23	9	22	1
24	10	23	1
25	11	24	1
26	12	25	1
27	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1