@<TRIPOS>MOLECULE
76971550
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -7.7564    -0.8123     1.5301	O.3	1	noname	-0.3756
2	O2    -4.2073     0.0176     2.1298	O.3	1	noname	-0.1976
3	O3    -0.7573    -0.2703     3.1290	O.3	1	noname	-0.2597
4	O4    -3.0564    -1.7017     3.2843	O.2	1	noname	-0.2442
5	O5     1.6837    -0.8425    -0.0573	O.2	1	noname	-0.2950
6	N1    -0.1573    -1.4404     1.0769	N.3	1	noname	-0.0861
7	C1    -6.5048    -0.1231     1.6013	C.3	1	noname	0.0816
8	C2    -6.2152     0.0709     0.1079	C.3	1	noname	-0.0223
9	C3    -7.5623     0.5696    -0.3889	C.3	1	noname	-0.0270
10	C4    -8.5582    -0.1411     0.5342	C.3	1	noname	0.0473
11	C5    -5.3282    -0.8539     2.2709	C.3	1	noname	0.0827
12	C6    -3.0810    -0.5918     2.7100	C.2	1	noname	0.1545
13	C7    -1.8934     0.3471     2.5119	C.3	1	noname	0.1392
14	C8     0.3755     0.4929     3.0103	C.2	1	noname	0.0373
15	C9     1.2332     0.2980     1.8736	C.2	1	noname	0.0151
16	C10     0.6837     1.4507     4.0368	C.2	1	noname	-0.0169
17	C11     2.3940     1.1138     1.7222	C.2	1	noname	-0.0117
18	C12     1.8401     2.2756     3.9026	C.2	1	noname	-0.0379
19	C13     2.6679     2.0932     2.7400	C.2	1	noname	-0.0585
20	C14     0.9343    -0.6773     0.9294	C.2	1	noname	0.0180
21	H1    -6.6221     0.8157     2.1560	H	1	noname	0.0627
22	H2    -5.9945    -0.8944    -0.3478	H	1	noname	0.0294
23	H3    -5.3904     0.7537    -0.0957	H	1	noname	0.0294
24	H4    -7.7169     0.2367    -1.4153	H	1	noname	0.0291
25	H5    -7.6313     1.6476    -0.2431	H	1	noname	0.0291
26	H6    -9.1957     0.5983     1.0189	H	1	noname	0.0566
27	H7    -9.1583    -0.8840     0.0088	H	1	noname	0.0566
28	H8    -5.5452    -0.9983     3.3293	H	1	noname	0.0600
29	H9    -5.1179    -1.8184     1.8089	H	1	noname	0.0600
30	H10    -2.0984     1.3002     2.9994	H	1	noname	0.0682
31	H11    -1.7404     0.5999     1.4627	H	1	noname	0.0682
32	H12     0.0806     1.5399     4.8545	H	1	noname	0.0650
33	H13     3.0108     1.0059     0.9170	H	1	noname	0.0631
34	H14     2.0728     2.9734     4.6093	H	1	noname	0.0623
35	H15     3.4897     2.6877     2.6319	H	1	noname	0.0622
36	H16    -0.6160    -1.7870     0.2956	H	1	noname	0.1274
37	H17    -0.4888    -1.6463     1.9650	H	1	noname	0.1274
@<TRIPOS>BOND
1	1	7	1
2	1	10	1
3	2	11	1
4	2	12	1
5	3	13	1
6	3	14	1
7	4	12	2
8	5	20	2
9	6	20	1
10	6	36	1
11	6	37	1
12	7	8	1
13	7	11	1
14	7	21	1
15	8	9	1
16	8	22	1
17	8	23	1
18	9	10	1
19	9	24	1
20	9	25	1
21	10	26	1
22	10	27	1
23	11	28	1
24	11	29	1
25	12	13	1
26	13	30	1
27	13	31	1
28	14	15	1
29	14	16	2
30	15	17	2
31	15	20	1
32	16	18	1
33	16	32	1
34	17	19	1
35	17	33	1
36	18	19	2
37	18	34	1
38	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1