@<TRIPOS>MOLECULE
50102624
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -4.5868     2.0778    -0.6396	N.2	1	noname	-0.2421
2	C1    -3.8160     2.9864     0.0651	C.2	1	noname	0.0066
3	C2    -4.1913     0.8795    -1.2029	C.2	1	noname	0.0066
4	C3    -2.4464     2.6695     0.2500	C.2	1	noname	0.0038
5	C4    -2.8325     0.5350    -1.0493	C.2	1	noname	0.0038
6	C5    -1.9831     1.4362    -0.3144	C.2	1	noname	-0.0078
7	C6    -0.5964     1.0773    -0.1470	C.2	1	noname	0.0425
8	N2     0.4445     1.9394    -0.0436	N.2	1	noname	-0.3035
9	C7    -0.0689    -0.1994    -0.0061	C.2	1	noname	0.0087
10	N3     1.5682     1.3006     0.1019	N.3	1	noname	-0.0256
11	C8     1.3175    -0.0167     0.1494	C.2	1	noname	-0.0557
12	C9    -0.6892    -1.4793     0.0973	C.2	1	noname	-0.0264
13	C10     2.1849    -1.1066     0.4180	C.2	1	noname	-0.0345
14	C11     0.1588    -2.5758     0.4089	C.2	1	noname	-0.0514
15	C12     1.5687    -2.3887     0.5674	C.2	1	noname	-0.0491
16	H1    -4.2631     3.9015     0.4532	H	1	noname	0.0839
17	H2    -4.9039     0.2480    -1.7334	H	1	noname	0.0839
18	H3    -1.7838     3.3395     0.7979	H	1	noname	0.0645
19	H4    -2.4538    -0.3912    -1.4815	H	1	noname	0.0645
20	H5     2.4720     1.7468     0.1664	H	1	noname	0.1754
21	H6    -1.7603    -1.6132    -0.0545	H	1	noname	0.0630
22	H7     3.2624    -0.9669     0.5046	H	1	noname	0.0643
23	H8    -0.2758    -3.5684     0.5272	H	1	noname	0.0622
24	H9     2.1925    -3.2492     0.8094	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	3	5	2
5	4	6	2
6	5	6	1
7	6	7	1
8	7	8	2
9	7	9	1
10	8	10	1
11	9	11	2
12	9	12	1
13	10	11	1
14	11	13	1
15	12	14	2
16	13	15	2
17	14	15	1
18	2	16	1
19	3	17	1
20	4	18	1
21	5	19	1
22	10	20	1
23	12	21	1
24	13	22	1
25	14	23	1
26	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1