@<TRIPOS>MOLECULE
91667969
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8105    -1.5630    -0.0375	O.3	1	noname	-0.3869
2	O2     1.6334    -0.5283    -4.4755	O.3	1	noname	-0.2669
3	O3    -0.2394     1.2802    -5.3294	O.3	1	noname	-0.2673
4	N1     0.4923    -2.4124     1.3858	N.3	1	noname	-0.3064
5	C1    -0.5773    -0.8740    -0.1822	C.3	1	noname	0.0918
6	C2     0.5807    -1.8490     0.0396	C.3	1	noname	0.0280
7	C3    -0.4891    -0.3114    -1.5265	C.2	1	noname	-0.0445
8	C4     0.5450    -0.6932    -2.3732	C.2	1	noname	-0.0099
9	C5    -1.4392     0.6061    -1.9597	C.2	1	noname	-0.0509
10	C6     0.6291    -0.1575    -3.6531	C.2	1	noname	0.0286
11	C7     1.5989    -3.3441     1.5978	C.3	1	noname	-0.0135
12	C8     0.5670    -1.3348     2.3710	C.3	1	noname	-0.0135
13	C9    -1.3552     1.1418    -3.2396	C.2	1	noname	-0.0188
14	C10    -0.3211     0.7600    -4.0863	C.2	1	noname	0.0258
15	C11     1.2317    -1.6604    -5.2327	C.3	1	noname	0.0424
16	C12     0.5430     2.4647    -5.2963	C.3	1	noname	0.0424
17	H1    -0.5216    -0.0706     0.5523	H	1	noname	0.0665
18	H2     0.5250    -2.6524    -0.6949	H	1	noname	0.0460
19	H3     1.5273    -1.3201    -0.0715	H	1	noname	0.0460
20	H4     1.2422    -1.3664    -2.0554	H	1	noname	0.0654
21	H5    -2.1981     0.8863    -1.3384	H	1	noname	0.0627
22	H6     1.5330    -3.7642     2.6014	H	1	noname	0.0394
23	H7     0.5012    -1.7549     3.3746	H	1	noname	0.0394
24	H8    -0.2580    -0.6402     2.2130	H	1	noname	0.0394
25	H9     1.5136    -0.8059     2.2599	H	1	noname	0.0394
26	H10     1.5432    -4.1475     0.8633	H	1	noname	0.0394
27	H11     2.5455    -2.8152     1.4867	H	1	noname	0.0394
28	H12    -2.0524     1.8150    -3.5575	H	1	noname	0.0651
29	H13    -1.8606    -2.2853    -0.6978	H	1	noname	0.2109
30	H14     2.0426    -1.9598    -5.8967	H	1	noname	0.0535
31	H15     0.3519    -1.4080    -5.8246	H	1	noname	0.0535
32	H16     0.9922    -2.4824    -4.5581	H	1	noname	0.0535
33	H17     0.6089     2.8848    -6.3000	H	1	noname	0.0535
34	H18     0.0769     3.1896    -4.6289	H	1	noname	0.0535
35	H19     1.5439     2.2290    -4.9347	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	5	1
2	1	29	1
3	2	10	1
4	2	15	1
5	3	14	1
6	3	16	1
7	4	6	1
8	4	11	1
9	4	12	1
10	5	6	1
11	5	7	1
12	5	17	1
13	6	18	1
14	6	19	1
15	7	8	2
16	7	9	1
17	8	10	1
18	8	20	1
19	9	13	2
20	9	21	1
21	10	14	2
22	11	22	1
23	11	26	1
24	11	27	1
25	12	23	1
26	12	24	1
27	12	25	1
28	13	14	1
29	13	28	1
30	15	30	1
31	15	31	1
32	15	32	1
33	16	33	1
34	16	34	1
35	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1