@<TRIPOS>MOLECULE
70695630
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2232    -3.7383     0.0921	O.3	1	noname	-0.2660
2	O2     2.4896    -3.4667     0.4140	O.3	1	noname	-0.2641
3	N1     2.0619     1.3150     0.1915	N.2	1	noname	-0.2917
4	N2    -2.0343     1.0015    -0.2899	N.3	1	noname	-0.1511
5	C1     0.0752    -0.0813    -0.0096	C.2	1	noname	-0.0337
6	C2     1.5113     0.0648     0.1631	C.2	1	noname	0.0283
7	C3    -0.5289    -1.3692    -0.0391	C.2	1	noname	0.0105
8	C4     0.3187    -2.5019     0.1098	C.2	1	noname	0.0382
9	C5    -0.7057     1.0957    -0.1434	C.2	1	noname	-0.0186
10	C6     1.7270    -2.3612     0.2774	C.2	1	noname	0.0509
11	C7     2.3472    -1.0790     0.3037	C.2	1	noname	0.0304
12	C8    -0.0866     2.3714    -0.1229	C.2	1	noname	-0.0514
13	C9     1.3167     2.4557     0.0492	C.2	1	noname	-0.0184
14	C10    -0.5764    -4.1193     1.4137	C.3	1	noname	0.0424
15	C11     2.9201    -3.9060    -0.8659	C.3	1	noname	0.0424
16	H1    -1.5356    -1.4766    -0.1629	H	1	noname	0.0658
17	H2     3.3562    -0.9837     0.4194	H	1	noname	0.0674
18	H3    -0.6452     3.2181    -0.2307	H	1	noname	0.0655
19	H4     1.7734     3.3676     0.0673	H	1	noname	0.0839
20	H5    -2.4149     1.8904    -0.3673	H	1	noname	0.1243
21	H6    -2.4137     0.5534     0.4822	H	1	noname	0.1243
22	H7    -1.0140    -5.1175     1.3993	H	1	noname	0.0535
23	H8    -1.3011    -3.4106     1.8147	H	1	noname	0.0535
24	H9     0.3147    -4.1221     2.0414	H	1	noname	0.0535
25	H10     3.5359    -4.7986    -0.7555	H	1	noname	0.0535
26	H11     2.0512    -4.1379    -1.4817	H	1	noname	0.0535
27	H12     3.5038    -3.1186    -1.3428	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	1
2	1	14	1
3	2	10	1
4	2	15	1
5	3	6	2
6	3	13	1
7	4	9	1
8	4	20	1
9	4	21	1
10	5	6	1
11	5	7	1
12	5	9	2
13	6	11	1
14	7	8	2
15	7	16	1
16	8	10	1
17	9	12	1
18	10	11	2
19	11	17	1
20	12	13	2
21	12	18	1
22	13	19	1
23	14	22	1
24	14	23	1
25	14	24	1
26	15	25	1
27	15	26	1
28	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1