@<TRIPOS>MOLECULE
86278148
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.8494    -1.4594    -0.3201	S	1	noname	-0.0954
2	O1     3.9137    -2.4056     0.3870	O.2	1	noname	-0.1945
3	O2     3.5848    -0.5409    -1.3895	O.2	1	noname	-0.1945
4	O3     2.6672    -0.5403     3.5809	O.3	1	noname	-0.2464
5	O4     4.5746     1.3066     4.5167	O.3	1	noname	-0.2310
6	N1     2.1072    -0.4904     0.8343	N.3	1	noname	0.1174
7	N2     3.6420     1.2545     0.5067	N.2	1	noname	-0.2182
8	N3    -1.1876    -4.7312    -3.0071	N.3	1	noname	-0.1510
9	N4     4.8578     2.1393     2.3239	N.2	1	noname	-0.2044
10	C1     1.6555    -2.4270    -1.1147	C.2	1	noname	-0.0163
11	C2     3.0054     0.3622     1.3461	C.2	1	noname	0.0865
12	C3     0.8609    -3.2958    -0.3760	C.2	1	noname	0.0114
13	C4     1.4910    -2.3355    -2.4919	C.2	1	noname	0.0114
14	C5     3.2815     0.3263     2.7477	C.2	1	noname	0.0981
15	C6    -0.0983    -4.0732    -1.0144	C.2	1	noname	-0.0446
16	C7     0.5317    -3.1130    -3.1303	C.2	1	noname	-0.0446
17	C8    -0.2629    -3.9818    -2.3916	C.2	1	noname	-0.0035
18	C9     4.2494     1.2672     3.2071	C.2	1	noname	0.1013
19	C10     4.5750     2.1558     0.9730	C.2	1	noname	0.0476
20	C11     3.4238    -1.7394     3.6586	C.3	1	noname	0.0426
21	C12     3.7166     2.2157     5.1903	C.3	1	noname	0.0441
22	H1     0.9817    -3.3629     0.6346	H	1	noname	0.0639
23	H2     2.0741    -1.6980    -3.0340	H	1	noname	0.0639
24	H3    -0.6815    -4.7108    -0.4723	H	1	noname	0.0639
25	H4     0.4110    -3.0459    -4.1409	H	1	noname	0.0639
26	H5     5.0390     2.8105     0.3433	H	1	noname	0.1063
27	H6    -1.6501    -5.2768    -2.3518	H	1	noname	0.1242
28	H7    -1.8255    -4.1541    -3.4554	H	1	noname	0.1242
29	H8     2.9279    -2.4390     4.3313	H	1	noname	0.0535
30	H9     3.5034    -2.1837     2.6664	H	1	noname	0.0535
31	H10     4.4211    -1.5158     4.0376	H	1	noname	0.0535
32	H11     3.9792     2.2476     6.2477	H	1	noname	0.0535
33	H12     2.6828     1.8875     5.0824	H	1	noname	0.0535
34	H13     3.8292     3.2099     4.7579	H	1	noname	0.0535
35	H14     1.7501    -1.0479     1.5432	H	1	noname	0.1523
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	6	1
4	1	10	1
5	4	14	1
6	4	20	1
7	5	18	1
8	5	21	1
9	6	11	1
10	6	35	1
11	7	11	1
12	7	19	2
13	8	17	1
14	8	27	1
15	8	28	1
16	9	18	2
17	9	19	1
18	10	12	2
19	10	13	1
20	11	14	2
21	12	15	1
22	12	22	1
23	13	16	2
24	13	23	1
25	14	18	1
26	15	17	2
27	15	24	1
28	16	17	1
29	16	25	1
30	19	26	1
31	20	29	1
32	20	30	1
33	20	31	1
34	21	32	1
35	21	33	1
36	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1