@<TRIPOS>MOLECULE
76972130
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2720     3.6760    -0.0192	O.3	1	noname	-0.2870
2	N1     0.4768    -3.8578     1.3499	N.3	1	noname	-0.3090
3	C1     0.6847    -1.8828    -0.0734	C.3	1	noname	0.0109
4	C2     0.6304    -2.4040     1.3640	C.3	1	noname	0.0017
5	C3     0.8380    -0.4309    -0.0593	C.2	1	noname	-0.0684
6	C4     2.1082     0.1337    -0.0532	C.2	1	noname	-0.0535
7	C5    -0.2860     0.3866    -0.0519	C.2	1	noname	-0.0535
8	C6     0.4249    -4.3558     2.7234	C.3	1	noname	-0.0136
9	C7    -0.7612    -4.2103     0.6566	C.3	1	noname	-0.0136
10	C8     2.2542     1.5159    -0.0397	C.2	1	noname	-0.0336
11	C9    -0.1400     1.7689    -0.0384	C.2	1	noname	-0.0336
12	C10     1.1301     2.3335    -0.0323	C.2	1	noname	-0.0086
13	H1    -0.2383    -2.1456    -0.5903	H	1	noname	0.0329
14	H2     1.5318    -2.3326    -0.5912	H	1	noname	0.0329
15	H3    -0.2168    -1.9541     1.8819	H	1	noname	0.0433
16	H4     1.5533    -2.1411     1.8809	H	1	noname	0.0433
17	H5     2.9331    -0.4663    -0.0586	H	1	noname	0.0626
18	H6    -1.2181    -0.0277    -0.0564	H	1	noname	0.0626
19	H7     0.3104    -5.4397     2.7129	H	1	noname	0.0394
20	H8    -0.4223    -3.9060     3.2413	H	1	noname	0.0394
21	H9     1.3479    -4.0930     3.2403	H	1	noname	0.0394
22	H10    -0.8757    -5.2942     0.6460	H	1	noname	0.0394
23	H11    -1.6083    -3.7605     1.1744	H	1	noname	0.0394
24	H12    -0.7225    -3.8390    -0.3675	H	1	noname	0.0394
25	H13     3.1863     1.9303    -0.0352	H	1	noname	0.0650
26	H14    -0.9649     2.3688    -0.0330	H	1	noname	0.0650
27	H15     2.2251     3.9038    -0.0165	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	12	1
2	1	27	1
3	2	4	1
4	2	8	1
5	2	9	1
6	3	4	1
7	3	5	1
8	3	13	1
9	3	14	1
10	4	15	1
11	4	16	1
12	5	6	2
13	5	7	1
14	6	10	1
15	6	17	1
16	7	11	2
17	7	18	1
18	8	19	1
19	8	20	1
20	8	21	1
21	9	22	1
22	9	23	1
23	9	24	1
24	10	12	2
25	10	25	1
26	11	12	1
27	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1