@<TRIPOS>MOLECULE
91800150
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.7846     2.0058     1.3498	O.3	1	noname	-0.2601
2	O2    -0.6761     0.6962     1.8139	O.3	1	noname	-0.2630
3	O3     3.3768     7.2496    -1.9344	O.3	1	noname	-0.3776
4	O4     5.8824     9.3850    -3.5046	O.3	1	noname	-0.3821
5	N1     2.0097     4.1047    -0.5827	N.3	1	noname	-0.3117
6	C1     0.7135     2.2688     0.4124	C.3	1	noname	0.1006
7	C2     0.7265     3.7689     0.0320	C.3	1	noname	0.0245
8	C3    -0.6724     1.9020     1.0011	C.3	1	noname	0.0815
9	C4     2.0220     5.5218    -0.9421	C.3	1	noname	0.0189
10	C5     1.7740     0.7901     1.9947	C.2	1	noname	0.0256
11	C6     0.5107     0.1389     2.2419	C.2	1	noname	0.0257
12	C7     3.3649     5.8732    -1.5854	C.3	1	noname	0.0593
13	C8     2.9858     0.2481     2.5078	C.2	1	noname	-0.0219
14	C9     0.4610    -1.0732     2.9939	C.2	1	noname	-0.0221
15	C10     2.9278    -0.9587     3.2723	C.2	1	noname	-0.0635
16	C11     1.6799    -1.6141     3.5111	C.2	1	noname	-0.0633
17	C12     4.6232     7.5758    -2.5315	C.3	1	noname	0.0702
18	C13     4.6360     9.0588    -2.9075	C.3	1	noname	0.0697
19	C14     5.8943    10.7613    -3.8536	C.3	1	noname	0.0357
20	H1     0.8786     1.6599    -0.4833	H	1	noname	0.0646
21	H2    -0.0788     3.9716    -0.6741	H	1	noname	0.0455
22	H3     0.5841     4.3723     0.9285	H	1	noname	0.0455
23	H4    -1.3947     1.7969     0.1917	H	1	noname	0.0600
24	H5    -0.9418     2.7187     1.6709	H	1	noname	0.0600
25	H6     2.1432     3.5389    -1.4233	H	1	noname	0.1224
26	H7     1.2167     5.7246    -1.6482	H	1	noname	0.0451
27	H8     1.8796     6.1252    -0.0456	H	1	noname	0.0451
28	H9     3.5073     5.2698    -2.4819	H	1	noname	0.0579
29	H10     4.1702     5.6705    -0.8793	H	1	noname	0.0579
30	H11     3.8777     0.7114     2.3337	H	1	noname	0.0651
31	H12    -0.4279    -1.5452     3.1596	H	1	noname	0.0651
32	H13     3.7869    -1.3567     3.6519	H	1	noname	0.0623
33	H14     1.6585    -2.4763     4.0557	H	1	noname	0.0623
34	H15     4.7656     6.9724    -3.4280	H	1	noname	0.0590
35	H16     5.4285     7.3730    -1.8254	H	1	noname	0.0590
36	H17     3.8308     9.2615    -3.6136	H	1	noname	0.0590
37	H18     4.4936     9.6622    -2.0110	H	1	noname	0.0590
38	H19     6.8510    11.0117    -4.3120	H	1	noname	0.0529
39	H20     5.0891    10.9641    -4.5597	H	1	noname	0.0529
40	H21     5.7519    11.3647    -2.9571	H	1	noname	0.0529
@<TRIPOS>BOND
1	1	6	1
2	1	10	1
3	2	8	1
4	2	11	1
5	3	12	1
6	3	17	1
7	4	18	1
8	4	19	1
9	5	7	1
10	5	9	1
11	5	25	1
12	6	7	1
13	6	8	1
14	6	20	1
15	7	21	1
16	7	22	1
17	8	23	1
18	8	24	1
19	9	12	1
20	9	26	1
21	9	27	1
22	10	11	1
23	10	13	2
24	11	14	2
25	12	28	1
26	12	29	1
27	13	15	1
28	13	30	1
29	14	16	1
30	14	31	1
31	15	16	2
32	15	32	1
33	16	33	1
34	17	18	1
35	17	34	1
36	17	35	1
37	18	36	1
38	18	37	1
39	19	38	1
40	19	39	1
41	19	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1