@<TRIPOS>MOLECULE
125298
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.2278    -5.6578     1.1785	N.2	1	noname	-0.2435
2	C1     2.0085    -4.8314     0.1015	C.2	1	noname	0.0428
3	C2     1.2676    -6.2442     1.9497	C.2	1	noname	0.0580
4	N2     3.0486    -4.3251    -0.5748	N.3	1	noname	-0.1157
5	C3     0.6937    -4.5156    -0.2928	C.2	1	noname	0.0037
6	N3    -0.0101    -5.9509     1.5691	N.2	1	noname	-0.2489
7	C4     1.5792    -7.1100     3.0832	C.3	1	noname	0.0672
8	C5    -0.3166    -5.1255     0.5052	C.2	1	noname	0.0377
9	C6    -1.6734    -4.8668     0.2156	C.2	1	noname	0.0530
10	N4    -2.1065    -4.6073    -1.0621	N.2	1	noname	-0.2217
11	C7    -2.6744    -4.8523     1.2164	C.2	1	noname	0.0776
12	C8    -3.3925    -4.3354    -1.4629	C.2	1	noname	0.0061
13	N5    -3.9576    -4.5718     0.8021	N.2	1	noname	-0.2344
14	N6    -2.4160    -5.1009     2.5315	N.3	1	noname	0.0191
15	C9    -4.3748    -4.3152    -0.4680	C.2	1	noname	0.0270
16	C10    -3.4215    -5.0585     3.4067	C.2	1	noname	0.0024
17	C11    -3.7773    -3.8259     4.0012	C.2	1	noname	0.0046
18	C12    -4.2390    -6.2153     3.5892	C.2	1	noname	-0.0394
19	C13    -4.9561    -3.7338     4.7449	C.2	1	noname	-0.0589
20	C14    -3.1662    -2.5744     4.0252	C.2	1	noname	0.0272
21	C15    -5.4471    -6.0983     4.3259	C.2	1	noname	-0.0465
22	N7    -5.0080    -2.4949     5.2414	N.3	1	noname	-0.0264
23	C16    -5.8202    -4.8514     4.9048	C.2	1	noname	-0.0483
24	N8    -3.9626    -1.8370     4.8223	N.2	1	noname	-0.3148
25	H1     3.8234    -4.9208    -0.8297	H	1	noname	0.1257
26	H2     3.0577    -3.3478    -0.8297	H	1	noname	0.1257
27	H3     0.4781    -3.8602    -1.1367	H	1	noname	0.0679
28	H4     1.4952    -8.1529     2.7777	H	1	noname	0.0312
29	H5     2.5957    -6.9117     3.4232	H	1	noname	0.0312
30	H6     0.8794    -6.9117     3.8950	H	1	noname	0.0312
31	H7    -3.6206    -4.1464    -2.5119	H	1	noname	0.0856
32	H8    -1.4839    -5.3155     2.8560	H	1	noname	0.1358
33	H9    -5.4247    -4.1075    -0.6744	H	1	noname	0.0856
34	H10    -3.9439    -7.1775     3.1706	H	1	noname	0.0639
35	H11    -2.2564    -2.2421     3.5254	H	1	noname	0.0863
36	H12    -6.0909    -6.9694     4.4475	H	1	noname	0.0623
37	H13    -5.7264    -2.1144     5.8408	H	1	noname	0.1754
38	H14    -6.7522    -4.7541     5.4615	H	1	noname	0.0643
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	7	1
7	5	8	2
8	6	8	1
9	8	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	2
14	11	14	1
15	12	15	2
16	13	15	1
17	14	16	1
18	16	17	2
19	16	18	1
20	17	19	1
21	17	20	1
22	18	21	2
23	19	22	1
24	19	23	2
25	20	24	2
26	21	23	1
27	22	24	1
28	4	25	1
29	4	26	1
30	5	27	1
31	7	28	1
32	7	29	1
33	7	30	1
34	12	31	1
35	14	32	1
36	15	33	1
37	18	34	1
38	20	35	1
39	21	36	1
40	22	37	1
41	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1