@<TRIPOS>MOLECULE
91864439
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1126    -5.0237    -0.9692	O.3	1	noname	-0.2027
2	O2    -1.8841    -0.5773    -6.0468	O.3	1	noname	-0.3926
3	O3    -0.0044    -5.8346     1.2983	O.2	1	noname	-0.2586
4	C1    -0.7965    -2.0595    -2.7480	C.3	1	noname	-0.0204
5	C2    -2.2246    -1.7945    -2.0293	C.3	1	noname	-0.0110
6	C3    -0.4143    -3.5631    -2.9246	C.3	1	noname	-0.0160
7	C4    -0.5952    -1.3837    -4.1439	C.3	1	noname	-0.0206
8	C5    -2.8729    -2.9819    -1.2510	C.3	1	noname	-0.0215
9	C6    -0.9392    -4.5185    -1.8103	C.3	1	noname	0.0900
10	C7    -1.8512    -3.9208    -0.8719	C.2	1	noname	0.0055
11	C8    -3.3645    -1.4116    -2.9938	C.2	1	noname	-0.0807
12	C9    -1.6361    -0.3446    -4.6681	C.3	1	noname	0.0584
13	C10     0.4029    -1.4621    -1.9794	C.3	1	noname	-0.0589
14	C11    -2.9861    -0.2189    -3.9138	C.3	1	noname	-0.0057
15	C12    -1.5772    -4.2732     0.3784	C.2	1	noname	0.0699
16	C13    -0.4366    -5.1329     0.3585	C.2	1	noname	0.1015
17	C14    -4.5398    -2.0328    -3.0336	C.2	1	noname	-0.0895
18	C15    -2.2988    -3.8633     1.5429	C.3	1	noname	-0.0337
19	H1    -2.1477    -1.0006    -1.2638	H	1	noname	0.0357
20	H2    -0.7603    -3.9141    -3.8968	H	1	noname	0.0302
21	H3     0.6702    -3.6508    -2.9887	H	1	noname	0.0302
22	H4    -0.4367    -2.1524    -4.9003	H	1	noname	0.0299
23	H5     0.3735    -0.8845    -4.1222	H	1	noname	0.0299
24	H6    -3.6041    -3.4784    -1.8889	H	1	noname	0.0320
25	H7    -3.4138    -2.6138    -0.3792	H	1	noname	0.0320
26	H8    -1.4208    -5.3523    -2.3326	H	1	noname	0.0658
27	H9    -1.1838     0.6444    -4.5953	H	1	noname	0.0603
28	H10     1.3247    -1.6786    -2.5194	H	1	noname	0.0236
29	H11     0.2776    -0.3828    -1.8925	H	1	noname	0.0236
30	H12     0.4528    -1.9034    -0.9840	H	1	noname	0.0236
31	H13    -3.7882    -0.0445    -4.6309	H	1	noname	0.0339
32	H14    -2.8319     0.6273    -3.2443	H	1	noname	0.0339
33	H15    -4.7215    -2.7883    -2.4202	H	1	noname	0.0537
34	H16    -5.2331    -1.7398    -3.6768	H	1	noname	0.0537
35	H17    -1.0480    -0.4842    -6.5494	H	1	noname	0.2104
36	H18    -2.6976    -4.7413     2.0511	H	1	noname	0.0282
37	H19    -3.1198    -3.2089     1.2501	H	1	noname	0.0282
38	H20    -1.6290    -3.3273     2.2154	H	1	noname	0.0282
@<TRIPOS>BOND
1	1	9	1
2	1	16	1
3	2	12	1
4	2	35	1
5	3	16	2
6	4	5	1
7	4	6	1
8	4	7	1
9	4	13	1
10	5	8	1
11	5	11	1
12	5	19	1
13	6	9	1
14	6	20	1
15	6	21	1
16	7	12	1
17	7	22	1
18	7	23	1
19	8	10	1
20	8	24	1
21	8	25	1
22	9	10	1
23	9	26	1
24	10	15	2
25	11	14	1
26	11	17	2
27	12	14	1
28	12	27	1
29	13	28	1
30	13	29	1
31	13	30	1
32	14	31	1
33	14	32	1
34	15	16	1
35	15	18	1
36	17	33	1
37	17	34	1
38	18	36	1
39	18	37	1
40	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1