@<TRIPOS>MOLECULE
119026066
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2722     1.9972     0.6262	O.3	1	noname	-0.2087
2	O2     2.1436     0.1923     1.3618	O.2	1	noname	-0.2534
3	O3    -3.6837     1.0465     2.1870	O.3	1	noname	-0.2412
4	O4    -1.8927     1.5431     2.8838	O.2	1	noname	-0.2756
5	N1    -2.5437     1.5242     1.9179	N.2	1	noname	-0.2595
6	C1     0.1288     0.4481    -0.4151	C.3	1	noname	-0.0386
7	C2     1.5076     1.0259    -0.7406	C.3	1	noname	0.0424
8	C3    -0.5525     1.3192     0.6422	C.3	1	noname	-0.0226
9	C4    -1.9314     0.7414     0.9677	C.3	1	noname	0.0795
10	C5     2.1890     0.1548    -1.7979	C.3	1	noname	-0.0531
11	C6     2.3235     1.0495     0.4700	C.2	1	noname	0.1405
12	C7     3.6143     2.4516     1.9273	C.3	1	noname	0.0453
13	H1    -0.4803     0.4305    -1.3189	H	1	noname	0.0275
14	H2     0.2410    -0.5664    -0.0327	H	1	noname	0.0275
15	H3     1.3954     2.0404    -1.1229	H	1	noname	0.0406
16	H4    -0.6648     2.3337     0.2598	H	1	noname	0.0296
17	H5     0.0566     1.3368     1.5460	H	1	noname	0.0296
18	H6    -2.5405     0.7237     0.0639	H	1	noname	0.0644
19	H7    -1.8191    -0.2732     1.3500	H	1	noname	0.0644
20	H8     3.1713     0.5664    -2.0297	H	1	noname	0.0238
21	H9     1.5799     0.1372    -2.7016	H	1	noname	0.0238
22	H10     2.3012    -0.8597    -1.4155	H	1	noname	0.0238
23	H11     4.3928     3.2110     1.8539	H	1	noname	0.0536
24	H12     2.7335     2.8794     2.4060	H	1	noname	0.0536
25	H13     3.9793     1.6133     2.5207	H	1	noname	0.0536
26	H14    -4.2313     1.0306     1.3744	H	1	noname	0.2592
27	H15    -2.6399     2.3945     1.5899	H	1	noname	0.2699
@<TRIPOS>BOND
1	1	11	1
2	1	12	1
3	2	11	2
4	3	5	1
5	3	26	1
6	4	5	2
7	5	9	1
8	5	27	1
9	6	7	1
10	6	8	1
11	6	13	1
12	6	14	1
13	7	10	1
14	7	11	1
15	7	15	1
16	8	9	1
17	8	16	1
18	8	17	1
19	9	18	1
20	9	19	1
21	10	20	1
22	10	21	1
23	10	22	1
24	12	23	1
25	12	24	1
26	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1