@<TRIPOS>MOLECULE
76958824
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -2.7492    -1.2466     1.3388	N.3	1	noname	-0.3271
2	C1    -1.6768    -0.6333     0.5570	C.3	1	noname	0.0115
3	C2    -1.2061    -1.6130    -0.5198	C.3	1	noname	0.0148
4	C3    -0.5060    -0.2886     1.4798	C.3	1	noname	-0.0197
5	C4    -0.1352    -1.0004    -1.3005	C.2	1	noname	-0.0568
6	C5     1.1888    -1.1580    -0.9076	C.2	1	noname	-0.0633
7	C6    -0.4396    -0.2597    -2.4366	C.2	1	noname	-0.0633
8	C7    -0.9459     0.6271     2.4862	C.2	1	noname	-0.0946
9	C8     2.2084    -0.5748    -1.6508	C.2	1	noname	-0.0629
10	C9     0.5800     0.3234    -3.1798	C.2	1	noname	-0.0629
11	C10     1.9040     0.1659    -2.7870	C.2	1	noname	-0.0681
12	C11    -0.0904     1.0674     3.4044	C.2	1	noname	-0.0985
13	H1    -2.0466     0.2764     0.0840	H	1	noname	0.0469
14	H2    -2.0402    -1.8586    -1.1771	H	1	noname	0.0332
15	H3    -0.8363    -2.5227    -0.0467	H	1	noname	0.0332
16	H4    -0.1362    -1.1982     1.9528	H	1	noname	0.0325
17	H5     0.2935     0.1688     0.8969	H	1	noname	0.0325
18	H6    -3.5312    -1.4769     0.7224	H	1	noname	0.1187
19	H7    -3.0636    -0.5922     2.0581	H	1	noname	0.1187
20	H8     1.4122    -1.7015    -0.0739	H	1	noname	0.0625
21	H9    -1.4111    -0.1441    -2.7249	H	1	noname	0.0625
22	H10    -1.8873     0.9333     2.4995	H	1	noname	0.0570
23	H11     3.1800    -0.6905    -1.3625	H	1	noname	0.0622
24	H12     0.3567     0.8670    -4.0135	H	1	noname	0.0622
25	H13     2.6522     0.5938    -3.3324	H	1	noname	0.0622
26	H14     0.8510     0.7613     3.3911	H	1	noname	0.0534
27	H15    -0.3950     1.7014     4.1012	H	1	noname	0.0534
@<TRIPOS>BOND
1	2	1	1
2	1	18	1
3	1	19	1
4	2	3	1
5	2	4	1
6	2	13	1
7	3	5	1
8	3	14	1
9	3	15	1
10	4	8	1
11	4	16	1
12	4	17	1
13	5	6	2
14	5	7	1
15	6	9	1
16	6	20	1
17	7	10	2
18	7	21	1
19	8	12	2
20	8	22	1
21	9	11	2
22	9	23	1
23	10	11	1
24	10	24	1
25	11	25	1
26	12	26	1
27	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1