@<TRIPOS>MOLECULE
72710656
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5061    -1.9851     0.4843	O.3	1	noname	-0.3870
2	O2     3.9715    -1.4527     3.3988	O.3	1	noname	-0.1428
3	O3     3.8606    -4.8011     3.4666	O.3	1	noname	-0.3794
4	O4     1.3845    -4.6234     4.7970	O.3	1	noname	-0.3794
5	O5     5.4092    -2.4001     4.8505	O.2	1	noname	-0.2381
6	O6     0.5908    -1.9566     5.6066	O.3	1	noname	-0.2097
7	O7     2.7939    -1.9130     6.0721	O.2	1	noname	-0.2441
8	N1    -1.2469    -1.7775    -2.4151	N.3	1	noname	-0.3168
9	C1    -0.4884    -1.1687    -0.0873	C.3	1	noname	0.0915
10	C2     0.6949    -1.1477     0.8085	C.2	1	noname	-0.0433
11	C3    -0.1134    -1.7005    -1.4887	C.3	1	noname	0.0253
12	C4     1.3376    -2.3891     1.0604	C.2	1	noname	-0.0358
13	C5     1.2306     0.0271     1.3805	C.2	1	noname	-0.0358
14	C6     3.6071    -3.7741     4.4173	C.3	1	noname	0.1754
15	C7     2.9823    -1.3089     2.4639	C.2	1	noname	0.0073
16	C8     2.5368    -2.4380     1.7509	C.2	1	noname	-0.0141
17	C9     2.3572    -0.0543     2.2119	C.2	1	noname	-0.0141
18	C10     2.1105    -3.4569     4.4385	C.3	1	noname	0.1748
19	C11     4.3671    -2.5385     4.1674	C.2	1	noname	0.1745
20	C12    -0.7880    -2.2897    -3.7052	C.3	1	noname	-0.0163
21	C13     1.8504    -2.4026     5.4145	C.2	1	noname	0.1515
22	H1    -0.9002    -0.1763    -0.2331	H	1	noname	0.0665
23	H2     0.3452    -2.6847    -1.3931	H	1	noname	0.0458
24	H3     0.6530    -1.0628    -1.9292	H	1	noname	0.0458
25	H4     0.9363    -3.2627     0.7071	H	1	noname	0.0627
26	H5     0.7935     0.9278     1.1875	H	1	noname	0.0627
27	H6     3.9430    -4.1903     5.3670	H	1	noname	0.0744
28	H7     1.7959    -3.1225     3.4499	H	1	noname	0.0744
29	H8     3.0716    -3.3033     1.7444	H	1	noname	0.0650
30	H9     2.7119     0.8006     2.6348	H	1	noname	0.0650
31	H10    -1.6475    -0.8458    -2.5414	H	1	noname	0.1220
32	H11    -1.7647    -1.6218     1.3569	H	1	noname	0.2109
33	H12    -1.6308    -2.3469    -4.3940	H	1	noname	0.0391
34	H13    -0.3607    -3.2834    -3.5705	H	1	noname	0.0391
35	H14    -0.0302    -1.6206    -4.1130	H	1	noname	0.0391
36	H15     4.8192    -5.0043     3.4530	H	1	noname	0.2113
37	H16     0.4259    -4.4202     4.8106	H	1	noname	0.2113
38	H17     0.4361    -1.0288     5.8820	H	1	noname	0.2214
@<TRIPOS>BOND
1	1	9	1
2	1	32	1
3	2	15	1
4	2	19	1
5	14	3	1
6	3	36	1
7	18	4	1
8	4	37	1
9	5	19	2
10	6	21	1
11	6	38	1
12	7	21	2
13	8	11	1
14	8	20	1
15	8	31	1
16	9	10	1
17	9	11	1
18	9	22	1
19	10	12	2
20	10	13	1
21	11	23	1
22	11	24	1
23	12	16	1
24	12	25	1
25	13	17	2
26	13	26	1
27	14	18	1
28	14	19	1
29	14	27	1
30	15	16	2
31	15	17	1
32	16	29	1
33	17	30	1
34	18	21	1
35	18	28	1
36	20	33	1
37	20	34	1
38	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1