@<TRIPOS>MOLECULE
92168246
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0883    -2.4350    -2.5213	O.3	1	noname	-0.3815
2	C1    -0.5889    -0.0042     0.2509	C.3	1	noname	-0.0418
3	C2     0.1887     1.1768    -0.3335	C.3	1	noname	-0.0471
4	C3    -0.9126    -1.0026    -0.8623	C.3	1	noname	-0.0270
5	C4     0.5124     2.1752     0.7798	C.3	1	noname	-0.0345
6	C5    -1.8903     0.5016     0.8766	C.3	1	noname	-0.0624
7	C6     0.3887    -1.5084    -1.4881	C.3	1	noname	0.0469
8	C7     1.2392     3.2790     0.2336	C.2	1	noname	-0.0839
9	C8     1.6287     4.2752     1.0241	C.2	1	noname	-0.0822
10	C9     1.2961    -2.9044    -3.1020	C.3	1	noname	0.0438
11	C10     2.3555     5.3790     0.4779	C.3	1	noname	-0.0442
12	C11     1.3207     4.2424     2.4201	C.3	1	noname	-0.0442
13	C12     0.9724    -3.9028    -4.2153	C.3	1	noname	-0.0416
14	H1     0.0148    -0.4946     1.0145	H	1	noname	0.0301
15	H2    -0.4150     1.6672    -1.0971	H	1	noname	0.0272
16	H3     1.1158     0.8164    -0.7792	H	1	noname	0.0272
17	H4    -1.5164    -0.5122    -1.6259	H	1	noname	0.0293
18	H5    -1.4666    -1.8440    -0.4460	H	1	noname	0.0293
19	H6    -0.4147     2.5355     1.2256	H	1	noname	0.0310
20	H7     1.1162     1.6848     1.5434	H	1	noname	0.0310
21	H8    -2.4443    -0.3398     1.2929	H	1	noname	0.0233
22	H9    -2.4940     0.9920     0.1130	H	1	noname	0.0233
23	H10    -1.6597     1.2128     1.6697	H	1	noname	0.0233
24	H11     0.9427    -0.6670    -1.9044	H	1	noname	0.0566
25	H12     0.9925    -1.9988    -0.7245	H	1	noname	0.0566
26	H13     1.4524     3.3016    -0.7329	H	1	noname	0.0575
27	H14     1.8501    -2.0631    -3.5183	H	1	noname	0.0563
28	H15     1.8998    -3.3948    -2.3384	H	1	noname	0.0563
29	H16     1.6563     6.1506     0.1556	H	1	noname	0.0276
30	H17     2.9423     5.0407    -0.3761	H	1	noname	0.0276
31	H18     3.0219     5.7869     1.2379	H	1	noname	0.0276
32	H19     0.7147     5.1107     2.6789	H	1	noname	0.0276
33	H20     0.7671     3.3317     2.6488	H	1	noname	0.0276
34	H21     2.2455     4.2600     2.9967	H	1	noname	0.0276
35	H22     1.8995    -4.2632    -4.6611	H	1	noname	0.0254
36	H23     0.3686    -3.4124    -4.9789	H	1	noname	0.0254
37	H24     0.4184    -4.7442    -3.7990	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	7	1
2	1	10	1
3	2	3	1
4	2	4	1
5	2	6	1
6	2	14	1
7	3	5	1
8	3	15	1
9	3	16	1
10	4	7	1
11	4	17	1
12	4	18	1
13	5	8	1
14	5	19	1
15	5	20	1
16	6	21	1
17	6	22	1
18	6	23	1
19	7	24	1
20	7	25	1
21	8	9	2
22	8	26	1
23	9	11	1
24	9	12	1
25	10	13	1
26	10	27	1
27	10	28	1
28	11	29	1
29	11	30	1
30	11	31	1
31	12	32	1
32	12	33	1
33	12	34	1
34	13	35	1
35	13	36	1
36	13	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1