@<TRIPOS>MOLECULE
55253543
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     4.0462    -0.9378     1.7974	N.3	1	noname	-0.0783
2	N2    -1.5124    -5.5285    -0.9086	N.3	1	noname	-0.3276
3	C1    -0.6542    -3.6214     0.3547	C.3	1	noname	0.0154
4	C2    -0.2899    -4.8534    -0.4761	C.3	1	noname	0.0052
5	C3     0.5667    -2.9473     0.7866	C.2	1	noname	-0.0483
6	C4     2.3446    -1.3211     0.4148	C.2	1	noname	-0.0376
7	C5     1.1416    -1.9261    -0.0416	C.2	1	noname	-0.0414
8	C6     2.9588    -1.7027     1.6253	C.2	1	noname	-0.0944
9	C7     1.1753    -3.3158     2.0348	C.2	1	noname	-0.0508
10	C8     2.3893    -2.6899     2.4785	C.2	1	noname	-0.0445
11	C9     0.5155    -4.4213    -1.7031	C.3	1	noname	-0.0497
12	C10     3.0862    -0.2826    -0.1263	C.2	1	noname	-0.0442
13	C11     4.1381    -0.0722     0.7669	C.2	1	noname	-0.1127
14	H1    -1.2515    -2.9390    -0.2501	H	1	noname	0.0331
15	H2    -1.2279    -3.9292     1.2288	H	1	noname	0.0331
16	H3     0.3074    -5.5358     0.1287	H	1	noname	0.0462
17	H4     0.7058    -1.6462    -0.9203	H	1	noname	0.0632
18	H5     0.7387    -4.0327     2.6144	H	1	noname	0.0626
19	H6     2.8244    -2.9416     3.3660	H	1	noname	0.0642
20	H7     1.4270    -3.9180    -1.3806	H	1	noname	0.0246
21	H8    -0.0818    -3.7389    -2.3078	H	1	noname	0.0246
22	H9     0.7751    -5.2990    -2.2949	H	1	noname	0.0246
23	H10     2.9022     0.2213    -0.9938	H	1	noname	0.0642
24	H11     4.6657    -0.9971     2.5414	H	1	noname	0.1522
25	H12    -1.2691    -6.3514    -1.4636	H	1	noname	0.1186
26	H13    -2.0724    -4.8887    -1.4757	H	1	noname	0.1186
27	H14     4.8680     0.6317     0.6567	H	1	noname	0.0789
@<TRIPOS>BOND
1	1	8	1
2	1	13	1
3	1	24	1
4	2	4	1
5	2	25	1
6	2	26	1
7	3	4	1
8	3	5	1
9	3	14	1
10	3	15	1
11	4	11	1
12	4	16	1
13	5	7	2
14	5	9	1
15	6	7	1
16	6	8	2
17	6	12	1
18	7	17	1
19	8	10	1
20	9	10	2
21	9	18	1
22	10	19	1
23	11	20	1
24	11	21	1
25	11	22	1
26	12	13	2
27	12	23	1
28	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1