@<TRIPOS>MOLECULE
72941621
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0568     1.6214     0.8434	O.3	1	noname	-0.2559
2	O2    -1.4008     0.7056    -0.2809	O.3	1	noname	-0.2627
3	N1     1.7303     3.5345    -1.2753	N.3	1	noname	-0.1218
4	N2    -0.1225     2.8876    -2.1074	N.2	1	noname	-0.2572
5	C1     0.1165     2.5862     0.2997	C.3	1	noname	0.1398
6	C2     0.5542     3.0035    -1.0285	C.2	1	noname	-0.0587
7	C3    -1.3236     1.9959     0.3734	C.3	1	noname	0.0870
8	C4     1.8927     3.7953    -2.6541	C.3	1	noname	0.0209
9	C5     0.5504     3.3259    -3.2221	C.3	1	noname	0.0535
10	C6     0.9393     0.2942     0.4214	C.2	1	noname	0.0259
11	C7    -0.2860    -0.1368    -0.1896	C.2	1	noname	0.0264
12	C8     1.9956    -0.6253     0.7081	C.2	1	noname	-0.0213
13	C9    -0.4442    -1.4827    -0.6405	C.2	1	noname	-0.0219
14	C10     1.8008    -1.9850     0.3298	C.2	1	noname	-0.0633
15	C11     0.6020    -2.4057    -0.3441	C.2	1	noname	-0.0629
16	H1     0.1395     3.4672     0.9481	H	1	noname	0.0712
17	H2    -2.0234     2.6853    -0.0989	H	1	noname	0.0604
18	H3    -1.5504     1.8348     1.4273	H	1	noname	0.0604
19	H4     1.9981     4.8688    -2.8109	H	1	noname	0.0451
20	H5     2.7023     3.1865    -3.0568	H	1	noname	0.0451
21	H6     2.4273     2.9297    -0.9763	H	1	noname	0.1294
22	H7     0.0220     4.1754    -3.6548	H	1	noname	0.0528
23	H8     0.6442     2.5058    -3.9339	H	1	noname	0.0528
24	H9     2.8547    -0.3200     1.1654	H	1	noname	0.0651
25	H10    -1.2751    -1.7732    -1.1559	H	1	noname	0.0651
26	H11     2.5245    -2.6722     0.5407	H	1	noname	0.0623
27	H12     0.4979    -3.3834    -0.6153	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	5	1
2	1	10	1
3	2	7	1
4	2	11	1
5	3	6	1
6	3	8	1
7	3	21	1
8	4	6	2
9	4	9	1
10	5	6	1
11	5	7	1
12	5	16	1
13	7	17	1
14	7	18	1
15	8	9	1
16	8	19	1
17	8	20	1
18	9	22	1
19	9	23	1
20	10	11	1
21	10	12	2
22	11	13	2
23	12	14	1
24	12	24	1
25	13	15	1
26	13	25	1
27	14	15	2
28	14	26	1
29	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1