@<TRIPOS>MOLECULE
57320331
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.2397     0.3892     0.1809	N.3	1	noname	-0.0205
2	N2     1.0249     0.1787     0.0515	N.2	1	noname	-0.3136
3	C1     3.1210     1.5102    -0.0012	C.3	1	noname	0.0472
4	C2     1.6750     1.3399     0.1072	C.2	1	noname	0.0196
5	C3     3.5975     0.9759    -1.3534	C.3	1	noname	-0.0505
6	C4     0.7551     2.3585     0.2846	C.2	1	noname	0.0001
7	C5    -1.1872    -0.5583     0.1715	C.2	1	noname	-0.0155
8	C6    -0.4587     1.6951     0.3255	C.2	1	noname	-0.0645
9	C7     5.1128     1.1544    -1.4670	C.3	1	noname	-0.0650
10	C8    -0.9984    -1.7227    -0.5638	C.2	1	noname	-0.0482
11	C9    -2.3589    -0.3768     0.8970	C.2	1	noname	-0.0482
12	C10    -1.9812    -2.7056    -0.5735	C.2	1	noname	-0.0596
13	C11    -3.3417    -1.3597     0.8872	C.2	1	noname	-0.0596
14	C12    -3.1529    -2.5241     0.1520	C.2	1	noname	-0.0830
15	H1     3.3693     2.5685     0.0792	H	1	noname	0.0332
16	H2     3.6128     0.9597     0.8007	H	1	noname	0.0332
17	H3     3.1057     1.5265    -2.1553	H	1	noname	0.0267
18	H4     3.3493    -0.0824    -1.4338	H	1	noname	0.0267
19	H5     0.9302     3.3601     0.3659	H	1	noname	0.0656
20	H6    -1.3714     2.1341     0.4465	H	1	noname	0.0814
21	H7     5.4523     0.7738    -2.4303	H	1	noname	0.0230
22	H8     5.3611     2.2127    -1.3866	H	1	noname	0.0230
23	H9     5.6046     0.6039    -0.6650	H	1	noname	0.0230
24	H10    -0.1386    -1.8559    -1.0961	H	1	noname	0.0643
25	H11    -2.4974     0.4777     1.4365	H	1	noname	0.0643
26	H12    -1.8426    -3.5600    -1.1131	H	1	noname	0.0623
27	H13    -4.2015    -1.2264     1.4196	H	1	noname	0.0623
28	H14    -3.8741    -3.2453     0.1448	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	7	1
3	1	8	1
4	2	4	2
5	3	4	1
6	3	5	1
7	3	15	1
8	3	16	1
9	4	6	1
10	5	9	1
11	5	17	1
12	5	18	1
13	6	8	2
14	6	19	1
15	7	10	2
16	7	11	1
17	8	20	1
18	9	21	1
19	9	22	1
20	9	23	1
21	10	12	1
22	10	24	1
23	11	13	2
24	11	25	1
25	12	14	2
26	12	26	1
27	13	14	1
28	13	27	1
29	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1