@<TRIPOS>MOLECULE
88391030
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4601     1.6196     0.0261	O.3	1	noname	-0.3869
2	O2     1.4500    -0.8934    -1.0846	O.3	1	noname	-0.2105
3	N1     0.8178     0.0288    -0.4928	N.2	1	noname	-0.2050
4	C1    -0.8364     0.7810     0.9875	C.3	1	noname	0.0944
5	C2     0.1373     1.6075     1.8300	C.3	1	noname	-0.0217
6	C3    -0.1218    -0.2615     0.3186	C.2	1	noname	0.0783
7	C4    -0.4612    -1.6295     0.5597	C.3	1	noname	-0.0097
8	C5    -0.6273     2.7229     2.5456	C.3	1	noname	-0.0533
9	C6    -1.5323    -2.0729    -0.4387	C.3	1	noname	-0.0507
10	C7     0.3464     3.5493     3.3881	C.3	1	noname	-0.0653
11	C8    -1.8954    -3.5367    -0.1807	C.3	1	noname	-0.0650
12	H1    -1.5961     0.3432     1.6351	H	1	noname	0.0665
13	H2     0.6160     0.9638     2.5679	H	1	noname	0.0297
14	H3     0.8969     2.0453     1.1824	H	1	noname	0.0297
15	H4    -0.8444    -1.7354     1.5746	H	1	noname	0.0330
16	H5     0.4265    -2.2506     0.4399	H	1	noname	0.0330
17	H6    -1.3869     2.2850     3.1932	H	1	noname	0.0265
18	H7    -1.1060     3.3666     1.8077	H	1	noname	0.0265
19	H8    -2.4200    -1.4519    -0.3189	H	1	noname	0.0267
20	H9    -1.1491    -1.9671    -1.4536	H	1	noname	0.0267
21	H10    -0.1982     4.3439     3.8980	H	1	noname	0.0230
22	H11     0.8252     2.9056     4.1261	H	1	noname	0.0230
23	H12     1.1061     3.9871     2.7405	H	1	noname	0.0230
24	H13    -2.6585    -3.8526    -0.8920	H	1	noname	0.0230
25	H14    -2.2786    -3.6425     0.8342	H	1	noname	0.0230
26	H15    -1.0077    -4.1577    -0.3005	H	1	noname	0.0230
27	H16    -2.0838     1.0903    -0.5135	H	1	noname	0.2109
28	H17     2.1329    -0.4998    -1.6668	H	1	noname	0.2481
@<TRIPOS>BOND
1	1	4	1
2	1	27	1
3	2	3	1
4	2	28	1
5	3	6	2
6	4	5	1
7	4	6	1
8	4	12	1
9	5	8	1
10	5	13	1
11	5	14	1
12	6	7	1
13	7	9	1
14	7	15	1
15	7	16	1
16	8	10	1
17	8	17	1
18	8	18	1
19	9	11	1
20	9	19	1
21	9	20	1
22	10	21	1
23	10	22	1
24	10	23	1
25	11	24	1
26	11	25	1
27	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1