@<TRIPOS>MOLECULE
72941517
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2244    -2.2219     0.5928	O.3	1	noname	-0.2070
2	O2    -1.8812    -1.1959    -0.5363	O.2	1	noname	-0.2590
3	N1    -1.1027    -5.3299     2.3691	N.3	1	noname	-0.3015
4	N2     2.0419     3.6171    -0.0325	N.3	1	noname	-0.1518
5	C1    -0.2268    -4.3240     1.7704	C.3	1	noname	0.0224
6	C2    -0.2920    -6.4050     2.9388	C.3	1	noname	-0.0046
7	C3    -1.9877    -5.8784     1.3427	C.3	1	noname	-0.0046
8	C4    -1.0751    -3.1989     1.1742	C.3	1	noname	0.0695
9	C5     0.6341    -5.8310     4.0129	C.3	1	noname	-0.0524
10	C6    -2.9043    -6.9311     1.9692	C.3	1	noname	-0.0524
11	C7    -0.7552    -1.1300     0.0024	C.2	1	noname	0.0809
12	C8    -0.0496     0.0676    -0.0064	C.2	1	noname	-0.0381
13	C9     1.3404     0.0553    -0.0090	C.2	1	noname	-0.0078
14	C10    -0.7339     1.2774    -0.0126	C.2	1	noname	-0.0078
15	C11     2.0460     1.2528    -0.0178	C.2	1	noname	-0.0517
16	C12    -0.0283     2.4750    -0.0214	C.2	1	noname	-0.0517
17	C13     1.3617     2.4627    -0.0240	C.2	1	noname	-0.0098
18	H1     0.3708    -4.7844     0.9837	H	1	noname	0.0454
19	H2     0.4330    -3.9151     2.5357	H	1	noname	0.0454
20	H3    -0.9451    -7.1550     3.3851	H	1	noname	0.0427
21	H4    -2.5920    -5.0769     0.9179	H	1	noname	0.0427
22	H5    -1.3901    -6.3388     0.5559	H	1	noname	0.0427
23	H6     0.3055    -6.8654     2.1520	H	1	noname	0.0427
24	H7    -1.7349    -3.6078     0.4090	H	1	noname	0.0586
25	H8    -1.6727    -2.7385     1.9610	H	1	noname	0.0586
26	H9    -3.5641    -7.3400     1.2040	H	1	noname	0.0243
27	H10     1.2385    -6.6325     4.4376	H	1	noname	0.0243
28	H11     0.0365    -5.3705     4.7996	H	1	noname	0.0243
29	H12     1.2871    -5.0810     3.5666	H	1	noname	0.0243
30	H13    -3.5019    -6.4707     2.7559	H	1	noname	0.0243
31	H14    -2.2999    -7.7326     2.3939	H	1	noname	0.0243
32	H15     1.8426    -0.8326    -0.0044	H	1	noname	0.0631
33	H16    -1.7538     1.2865    -0.0107	H	1	noname	0.0631
34	H17     3.0660     1.2438    -0.0197	H	1	noname	0.0639
35	H18    -0.5304     3.3628    -0.0260	H	1	noname	0.0639
36	H19     1.4181     4.3600    -0.0359	H	1	noname	0.1242
37	H20     2.5985     3.6586    -0.8258	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	8	1
2	1	11	1
3	2	11	2
4	3	5	1
5	3	6	1
6	3	7	1
7	4	17	1
8	4	36	1
9	4	37	1
10	5	8	1
11	5	18	1
12	5	19	1
13	6	9	1
14	6	20	1
15	6	23	1
16	7	10	1
17	7	21	1
18	7	22	1
19	8	24	1
20	8	25	1
21	9	27	1
22	9	28	1
23	9	29	1
24	10	26	1
25	10	30	1
26	10	31	1
27	11	12	1
28	12	13	2
29	12	14	1
30	13	15	1
31	13	32	1
32	14	16	2
33	14	33	1
34	15	17	2
35	15	34	1
36	16	17	1
37	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1