@<TRIPOS>MOLECULE
50394891
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.0679    -4.9449    -0.0000	O.3	1	noname	-0.2855
2	C1     3.8458    -4.3714    -0.0000	C.2	1	noname	-0.0038
3	C2     3.7280    -2.9864    -0.0000	C.2	1	noname	-0.0303
4	C3     2.7052    -5.1659    -0.0000	C.2	1	noname	-0.0543
5	C4     2.4696    -2.3959    -0.0000	C.2	1	noname	-0.0225
6	C5     1.4469    -4.5754    -0.0000	C.2	1	noname	-0.0539
7	N1     2.3490    -0.9773    -0.0000	N.3	1	noname	0.0095
8	C6     1.3291    -3.1904    -0.0000	C.2	1	noname	-0.0696
9	C7     1.3716    -0.0187     0.0000	C.2	1	noname	0.0623
10	N2     2.0258     1.1900     0.0000	N.2	1	noname	-0.2490
11	C8    -0.0857    -0.0549     0.0000	C.2	1	noname	0.0096
12	C9     1.4114     2.4110     0.0000	C.2	1	noname	0.0085
13	C10    -0.9034    -1.2460     0.0000	C.2	1	noname	0.0827
14	C11    -0.7187     1.2306     0.0000	C.2	1	noname	-0.0056
15	C12    -0.0010     2.4583     0.0000	C.2	1	noname	-0.0424
16	N3    -2.2825    -1.2314     0.0000	N.2	1	noname	-0.2174
17	N4    -0.2931    -2.4675     0.0000	N.2	1	noname	-0.2388
18	C13    -2.9904    -2.4024     0.0000	C.2	1	noname	0.0964
19	C14    -0.9774    -3.6474     0.0000	C.2	1	noname	0.0686
20	N5    -2.3356    -3.6031     0.0000	N.2	1	noname	-0.2276
21	N6    -4.3301    -2.3726     0.0000	N.3	1	noname	-0.0771
22	C15    -0.2694    -4.9243     0.0000	C.3	1	noname	0.0696
23	H1     5.3576    -5.0808     0.9051	H	1	noname	0.2181
24	H2     4.6224    -2.3634     0.0000	H	1	noname	0.0666
25	H3     2.7976    -6.2520    -0.0000	H	1	noname	0.0650
26	H4     0.5525    -5.1984    -0.0000	H	1	noname	0.0624
27	H5     3.2388    -0.4995     0.0000	H	1	noname	0.1357
28	H6     0.3423    -2.7273    -0.0000	H	1	noname	0.0639
29	H7     2.0242     3.3124     0.0000	H	1	noname	0.0839
30	H8    -1.8077     1.2774    -0.0000	H	1	noname	0.0631
31	H9    -0.5226     3.4154     0.0000	H	1	noname	0.0639
32	H10    -4.8155    -1.4869     0.0000	H	1	noname	0.1273
33	H11    -4.8544    -3.2358     0.0000	H	1	noname	0.1273
34	H12    -0.0932    -5.2420     1.0277	H	1	noname	0.0312
35	H13    -0.8716    -5.6736    -0.5138	H	1	noname	0.0312
36	H14     0.6851    -4.8105    -0.5138	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	8	1
9	7	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	1
14	11	14	2
15	12	15	2
16	13	16	2
17	13	17	1
18	14	15	1
19	16	18	1
20	17	19	2
21	18	20	2
22	18	21	1
23	19	22	1
24	19	20	1
25	1	23	1
26	3	24	1
27	4	25	1
28	6	26	1
29	7	27	1
30	8	28	1
31	12	29	1
32	14	30	1
33	15	31	1
34	21	32	1
35	21	33	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1