@<TRIPOS>MOLECULE
90479472
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.7771     2.9600     0.2881	O.2	1	noname	-0.2984
2	N1     1.8978    -1.0277    -0.2658	N.3	1	noname	-0.2995
3	C1     0.4748    -0.7838     0.1738	C.3	1	noname	0.0165
4	C2     2.3795    -0.0087    -1.2444	C.3	1	noname	0.0165
5	C3    -0.4771    -0.9939    -1.0564	C.3	1	noname	-0.0370
6	C4     1.4823    -0.0424    -2.5340	C.3	1	noname	-0.0370
7	C5    -0.0591    -0.1236    -2.2848	C.3	1	noname	-0.0503
8	C6     0.3226     0.6063     0.8800	C.3	1	noname	0.0218
9	C7     2.4655     1.3332    -0.4464	C.3	1	noname	0.0218
10	C8     1.1498     1.7677     0.2436	C.2	1	noname	0.1347
11	C9     2.0032    -2.3602    -0.8581	C.3	1	noname	-0.0127
12	H1     0.2047    -1.5255     0.9287	H	1	noname	0.0471
13	H2     3.4005    -0.2129    -1.5671	H	1	noname	0.0471
14	H3    -1.5002    -0.7504    -0.7699	H	1	noname	0.0282
15	H4    -0.3750    -2.0360    -1.3593	H	1	noname	0.0282
16	H5     1.7048     0.8259    -3.1542	H	1	noname	0.0282
17	H6     1.7445    -0.9667    -3.0487	H	1	noname	0.0282
18	H7    -0.5528    -0.4994    -3.1810	H	1	noname	0.0268
19	H8    -0.3791     0.8926    -2.0545	H	1	noname	0.0268
20	H9    -0.7308     0.8848     0.9106	H	1	noname	0.0362
21	H10     0.6431     0.5443     1.9199	H	1	noname	0.0362
22	H11     2.8083     2.1284    -1.1085	H	1	noname	0.0362
23	H12     3.1702     1.1205     0.3576	H	1	noname	0.0362
24	H13     3.0310    -2.5364    -1.1756	H	1	noname	0.0394
25	H14     1.3399    -2.4281    -1.7203	H	1	noname	0.0394
26	H15     1.7174    -3.1096    -0.1200	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	10	2
2	2	3	1
3	2	4	1
4	2	11	1
5	3	5	1
6	3	8	1
7	3	12	1
8	4	6	1
9	4	9	1
10	4	13	1
11	5	7	1
12	5	14	1
13	5	15	1
14	6	7	1
15	6	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	8	10	1
20	8	20	1
21	8	21	1
22	9	10	1
23	9	22	1
24	9	23	1
25	11	24	1
26	11	25	1
27	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1