@<TRIPOS>MOLECULE
29288
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.7175    -3.8356    -0.5614	S.3	1	noname	-0.0706
2	C1     1.5473    -2.8842     0.6661	C.2	1	noname	0.1410
3	C2     0.5729    -5.3491     0.3406	C.2	1	noname	0.1419
4	S2     2.4777    -1.4281     0.5292	S.3	1	noname	0.0127
5	N1     1.5699    -3.6902     1.7529	N.2	1	noname	-0.1720
6	N2     0.1281    -6.5128    -0.0480	N.2	1	noname	0.0183
7	C3     1.0705    -4.9498     1.5924	C.2	1	noname	0.1189
8	C4     1.8669    -0.3953    -0.7548	C.2	1	noname	0.0944
9	O1     0.2406    -6.8373    -1.1612	O.2	1	noname	-0.1360
10	O2    -0.4252    -7.2884     0.7841	O.3	1	noname	-0.1360
11	N3     0.6145    -0.4853    -1.2482	N.2	1	noname	-0.2172
12	N4     2.5450     0.6520    -1.2991	N.3	1	noname	-0.0833
13	N5     0.4438     0.4924    -2.0658	N.3	1	noname	0.0903
14	C5     3.8891     1.1092    -1.0812	C.2	1	noname	-0.0181
15	C6     1.5947     1.1896    -2.1035	C.2	1	noname	0.1059
16	C7     4.4488     2.2860    -1.7143	C.2	1	noname	0.0147
17	C8     4.7792     0.4004    -0.1970	C.2	1	noname	-0.0253
18	O3     1.7675     2.2137    -2.7992	O.2	1	noname	-0.2554
19	C9     5.8007     2.7296    -1.4811	C.2	1	noname	0.0361
20	C10     6.1253     0.8015     0.0712	C.2	1	noname	-0.0113
21	O4     6.2869     3.8310    -2.0917	O.3	1	noname	-0.2660
22	C11     6.6098     1.9671    -0.5833	C.2	1	noname	0.0344
23	C12     6.8811     3.4635    -3.3280	C.3	1	noname	0.0424
24	O5     7.8776     2.3672    -0.3486	O.3	1	noname	-0.2669
25	C13     7.8957     3.2589     0.7564	C.3	1	noname	0.0424
26	H1     1.0689    -5.6246     2.4484	H	1	noname	0.0874
27	H2    -0.4119     0.6739    -2.5708	H	1	noname	0.1605
28	H3     3.8249     2.8633    -2.3967	H	1	noname	0.0668
29	H4     4.4106    -0.4965     0.3009	H	1	noname	0.0640
30	H5     6.7617     0.2368     0.7525	H	1	noname	0.0651
31	H6     6.9179     2.3768    -3.4045	H	1	noname	0.0535
32	H7     6.2886     3.8658    -4.1497	H	1	noname	0.0535
33	H8     7.8929     3.8658    -3.3786	H	1	noname	0.0535
34	H9     7.9108     2.6873     1.6844	H	1	noname	0.0535
35	H10     8.7849     3.8869     0.7019	H	1	noname	0.0535
36	H11     7.0052     3.8869     0.7310	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	1
6	3	7	2
7	4	8	1
8	5	7	1
9	6	9	2
10	6	10	1
11	8	11	2
12	8	12	1
13	11	13	1
14	12	14	1
15	12	15	1
16	13	15	1
17	14	16	2
18	14	17	1
19	15	18	2
20	16	19	1
21	17	20	2
22	19	21	1
23	19	22	2
24	20	22	1
25	21	23	1
26	22	24	1
27	24	25	1
28	7	26	1
29	13	27	1
30	16	28	1
31	17	29	1
32	20	30	1
33	23	31	1
34	23	32	1
35	23	33	1
36	25	34	1
37	25	35	1
38	25	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1