@<TRIPOS>MOLECULE
DB07371
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.8148    -3.5433     1.8636	O.2	1	noname	-0.2558
2	C1     3.4065    -2.9289     0.8544	C.2	1	noname	0.1349
3	O2     3.6786    -3.4027    -0.3801	O.3	1	noname	-0.2188
4	C2     2.6355    -1.6991     1.0108	C.3	1	noname	0.0375
5	C3     2.2620    -1.1524    -0.3685	C.3	1	noname	-0.0173
6	C4     1.4909     0.0775    -0.2121	C.2	1	noname	-0.0364
7	C5     0.1053     0.0217    -0.1160	C.2	1	noname	-0.0349
8	C6     2.1423     1.3043    -0.1593	C.2	1	noname	-0.0349
9	C7    -0.6288     1.1926     0.0329	C.2	1	noname	-0.0411
10	C8    -0.5461    -1.2051    -0.1688	C.2	1	noname	-0.0454
11	C9     1.4083     2.4752    -0.0103	C.2	1	noname	-0.0411
12	C10     3.5279     1.3601    -0.2554	C.2	1	noname	-0.0454
13	C11     0.0227     2.4193     0.0857	C.2	1	noname	-0.0309
14	C12    -2.0143     1.1367     0.1290	C.2	1	noname	-0.0472
15	C13    -1.9317    -1.2609    -0.0727	C.2	1	noname	-0.0565
16	C14     2.0597     3.7019     0.0425	C.2	1	noname	-0.0472
17	C15     4.1794     2.5868    -0.2025	C.2	1	noname	-0.0565
18	C16    -0.7484     3.6492     0.2422	C.3	1	noname	0.0055
19	C17    -2.6658    -0.0900     0.0762	C.2	1	noname	-0.0567
20	C18     3.4453     3.7577    -0.0536	C.2	1	noname	-0.0567
21	H1     3.6747    -4.3625    -0.3626	H	1	noname	0.2213
22	H2     1.7113    -1.9864     1.5124	H	1	noname	0.0376
23	H3     3.3087    -0.9806     1.4784	H	1	noname	0.0376
24	H4     3.1861    -0.8651    -0.8700	H	1	noname	0.0321
25	H5     1.5887    -1.8708    -0.8361	H	1	noname	0.0321
26	H6     0.0295    -2.1233    -0.2856	H	1	noname	0.0629
27	H7     4.1036     0.4419    -0.3721	H	1	noname	0.0629
28	H8    -2.5900     2.0549     0.2458	H	1	noname	0.0629
29	H9    -2.4425    -2.2229    -0.1142	H	1	noname	0.0622
30	H10     1.4841     4.6201     0.1593	H	1	noname	0.0629
31	H11     5.2659     2.6306    -0.2779	H	1	noname	0.0622
32	H12    -0.8818     3.8620     1.3028	H	1	noname	0.0280
33	H13    -0.2154     4.4747    -0.2298	H	1	noname	0.0280
34	H14    -1.7235     3.5292    -0.2298	H	1	noname	0.0280
35	H15    -3.7523    -0.1338     0.1515	H	1	noname	0.0622
36	H16     3.9561     4.7197    -0.0122	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	6	8	2
8	7	9	1
9	7	10	2
10	8	11	1
11	8	12	1
12	9	13	1
13	9	14	2
14	10	15	1
15	11	16	1
16	11	13	2
17	12	17	2
18	13	18	1
19	14	19	1
20	15	19	2
21	16	20	2
22	17	20	1
23	3	21	1
24	4	22	1
25	4	23	1
26	5	24	1
27	5	25	1
28	10	26	1
29	12	27	1
30	14	28	1
31	15	29	1
32	16	30	1
33	17	31	1
34	18	32	1
35	18	33	1
36	18	34	1
37	19	35	1
38	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1