@<TRIPOS>MOLECULE
56841933
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1990    -2.1335     0.5941	O.3	1	noname	-0.2070
2	O2    -1.9189    -1.2005    -0.5212	O.2	1	noname	-0.2590
3	N1    -0.9009    -5.2628     2.4110	N.3	1	noname	-0.3141
4	N2     1.7714     3.8023    -0.1165	N.3	1	noname	-0.1518
5	C1    -0.8870    -7.3813     3.6281	C.3	1	noname	-0.0345
6	C2    -0.0312    -6.2916     2.9793	C.3	1	noname	-0.0024
7	C3     0.0231    -8.4579     4.2228	C.3	1	noname	-0.0616
8	C4    -1.7984    -8.0102     2.5724	C.3	1	noname	-0.0616
9	C5    -0.0832    -4.2215     1.7910	C.3	1	noname	0.0194
10	C6    -0.9932    -3.1449     1.1963	C.3	1	noname	0.0692
11	C7    -0.1441     0.1557    -0.0285	C.2	1	noname	-0.0381
12	C8    -0.7903    -1.0746     0.0012	C.2	1	noname	0.0809
13	C9     1.2447     0.2109    -0.0503	C.2	1	noname	-0.0078
14	C10    -0.8865     1.3307    -0.0364	C.2	1	noname	-0.0078
15	C11     1.1484     2.6162    -0.0879	C.2	1	noname	-0.0098
16	C12     1.8909     1.4412    -0.0800	C.2	1	noname	-0.0517
17	C13    -0.2403     2.5610    -0.0660	C.2	1	noname	-0.0517
18	H1    -1.4956    -6.9427     4.4188	H	1	noname	0.0310
19	H2     0.5774    -6.7302     2.1886	H	1	noname	0.0430
20	H3     0.6181    -5.8435     3.7314	H	1	noname	0.0430
21	H4    -1.4716    -4.8516     3.1524	H	1	noname	0.1223
22	H5    -0.5865    -9.2343     4.6851	H	1	noname	0.0233
23	H6    -2.4081    -8.7866     3.0346	H	1	noname	0.0233
24	H7    -2.4468    -7.2433     2.1487	H	1	noname	0.0233
25	H8    -1.1897    -8.4489     1.7816	H	1	noname	0.0233
26	H9     0.6318    -8.8965     3.4321	H	1	noname	0.0233
27	H10     0.6724    -8.0099     4.9750	H	1	noname	0.0233
28	H11     0.5255    -4.6601     1.0003	H	1	noname	0.0452
29	H12     0.5662    -3.7735     2.5432	H	1	noname	0.0452
30	H13    -1.6426    -3.5930     0.4442	H	1	noname	0.0586
31	H14    -1.6019    -2.7063     1.9870	H	1	noname	0.0586
32	H15     1.7895    -0.6514    -0.0446	H	1	noname	0.0631
33	H16    -1.9056     1.2902    -0.0204	H	1	noname	0.0631
34	H17     2.9100     1.4817    -0.0960	H	1	noname	0.0639
35	H18    -0.7851     3.4233    -0.0718	H	1	noname	0.0639
36	H19     2.7313     3.6631    -0.1287	H	1	noname	0.1242
37	H20     1.5050     4.2883    -0.9125	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	10	1
2	1	12	1
3	2	12	2
4	3	6	1
5	3	9	1
6	3	21	1
7	4	15	1
8	4	36	1
9	4	37	1
10	5	6	1
11	5	7	1
12	5	8	1
13	5	18	1
14	6	19	1
15	6	20	1
16	7	22	1
17	7	26	1
18	7	27	1
19	8	23	1
20	8	24	1
21	8	25	1
22	9	10	1
23	9	28	1
24	9	29	1
25	10	30	1
26	10	31	1
27	11	12	1
28	11	13	2
29	11	14	1
30	13	16	1
31	13	32	1
32	14	17	2
33	14	33	1
34	15	16	2
35	15	17	1
36	16	34	1
37	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1