@<TRIPOS>MOLECULE
67278079
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.7135     1.9097    -1.0819	N.3	1	noname	-0.3274
2	C1     0.0342     0.2306    -0.6131	C.3	1	noname	-0.0290
3	C2    -0.3057     1.7498    -0.7214	C.3	1	noname	0.0066
4	C3     0.0260    -0.4130     0.8102	C.3	1	noname	-0.0492
5	C4     0.0027     2.5898     0.5643	C.3	1	noname	-0.0377
6	C5    -0.7524     0.3768     1.9220	C.3	1	noname	-0.0529
7	C6    -0.5260     1.9182     1.8713	C.3	1	noname	-0.0518
8	C7    -0.9374    -0.5948    -1.4672	C.3	1	noname	-0.0610
9	H1     1.0346     0.0965    -1.0480	H	1	noname	0.0315
10	H2     0.2308     2.1785    -1.5678	H	1	noname	0.0465
11	H3    -0.3626    -1.4294     0.7471	H	1	noname	0.0270
12	H4     1.0673    -0.4156     1.1324	H	1	noname	0.0270
13	H5    -0.4352     3.5828     0.4632	H	1	noname	0.0282
14	H6     1.0881     2.6333     0.6542	H	1	noname	0.0282
15	H7    -1.8181     0.1633     1.8408	H	1	noname	0.0267
16	H8    -0.4759    -0.0035     2.9054	H	1	noname	0.0267
17	H9    -1.4300     2.4293     2.2023	H	1	noname	0.0267
18	H10     0.2368     2.1504     2.6145	H	1	noname	0.0267
19	H11    -0.6880    -1.6524    -1.3817	H	1	noname	0.0234
20	H12    -1.9568    -0.4325    -1.1172	H	1	noname	0.0234
21	H13    -0.8576    -0.2858    -2.5095	H	1	noname	0.0234
22	H14    -1.9361     2.9047    -1.1528	H	1	noname	0.1186
23	H15    -2.3000     1.4798    -0.3638	H	1	noname	0.1186
@<TRIPOS>BOND
1	3	1	1
2	1	22	1
3	1	23	1
4	2	3	1
5	2	4	1
6	2	8	1
7	2	9	1
8	3	5	1
9	3	10	1
10	4	6	1
11	4	11	1
12	4	12	1
13	5	7	1
14	5	13	1
15	5	14	1
16	6	7	1
17	6	15	1
18	6	16	1
19	7	17	1
20	7	18	1
21	8	19	1
22	8	20	1
23	8	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1