@<TRIPOS>MOLECULE
72941556
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7492     2.0870     0.4485	O.3	1	noname	-0.2656
2	O2     2.8796    -0.8870    -3.2476	O.3	1	noname	-0.2656
3	O3     4.0470     1.0864    -1.7475	O.3	1	noname	-0.2585
4	N1    -2.1279    -2.5993     1.0004	N.3	1	noname	-0.3276
5	C1    -0.9822    -0.8984    -0.3278	C.3	1	noname	0.0161
6	C2    -0.8126    -2.0802     0.6291	C.3	1	noname	0.0052
7	C3     0.3313    -0.3800    -0.6986	C.2	1	noname	-0.0499
8	C4     0.9896    -0.8876    -1.8126	C.2	1	noname	-0.0362
9	C5     0.9235     0.6211     0.0624	C.2	1	noname	-0.0362
10	C6    -0.0738    -1.6166     1.8861	C.3	1	noname	-0.0497
11	C7     2.1741     1.1147    -0.2906	C.2	1	noname	0.0317
12	C8     2.2402    -0.3940    -2.1656	C.2	1	noname	0.0317
13	C9     2.8324     0.6071    -1.4046	C.2	1	noname	0.0413
14	C10     3.5342     1.4991     1.4755	C.3	1	noname	0.0424
15	C11     3.6871    -1.9886    -2.8591	C.3	1	noname	0.0424
16	C12     3.8895     2.1833    -2.6355	C.3	1	noname	0.0425
17	H1    -1.5574    -0.1133     0.1629	H	1	noname	0.0331
18	H2    -1.5085    -1.2287    -1.2233	H	1	noname	0.0331
19	H3    -0.2374    -2.8653     0.1383	H	1	noname	0.0462
20	H4     0.5551    -1.6222    -2.3711	H	1	noname	0.0654
21	H5     0.4404     0.9936     0.8799	H	1	noname	0.0654
22	H6     0.9068    -1.2296     1.6093	H	1	noname	0.0246
23	H7    -0.6490    -0.8315     2.3768	H	1	noname	0.0246
24	H8     0.0470    -2.4585     2.5678	H	1	noname	0.0246
25	H9    -2.0146    -3.3887     1.6395	H	1	noname	0.1186
26	H10    -2.6672    -1.8631     1.4605	H	1	noname	0.1186
27	H11     3.9986     2.2842     2.0723	H	1	noname	0.0535
28	H12     2.8976     0.8862     2.1136	H	1	noname	0.0535
29	H13     4.3089     0.8758     1.0290	H	1	noname	0.0535
30	H14     4.2033    -2.3866    -3.7327	H	1	noname	0.0535
31	H15     3.0576    -2.7649    -2.4241	H	1	noname	0.0535
32	H16     4.4201    -1.6598    -2.1224	H	1	noname	0.0535
33	H17     4.8702     2.5703    -2.9123	H	1	noname	0.0535
34	H18     3.3143     2.9684    -2.1448	H	1	noname	0.0535
35	H19     3.3632     1.8530    -3.5311	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	11	1
2	1	14	1
3	2	12	1
4	2	15	1
5	3	13	1
6	3	16	1
7	6	4	1
8	4	25	1
9	4	26	1
10	5	6	1
11	5	7	1
12	5	17	1
13	5	18	1
14	6	10	1
15	6	19	1
16	7	8	2
17	7	9	1
18	8	12	1
19	8	20	1
20	9	11	2
21	9	21	1
22	10	22	1
23	10	23	1
24	10	24	1
25	11	13	1
26	12	13	2
27	14	27	1
28	14	28	1
29	14	29	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