@<TRIPOS>MOLECULE
DB01040
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6217    -0.9625    -1.5771	O.3	1	noname	-0.2829
2	C1     0.3690    -0.1307    -0.5443	C.2	1	noname	0.0128
3	C2     1.2326    -0.0920     0.5443	C.2	1	noname	-0.0144
4	C3    -0.7546     0.6871    -0.5694	C.2	1	noname	-0.0073
5	C4     0.9725     0.7645     1.6077	C.2	1	noname	-0.0365
6	C5     2.3320    -0.8922     0.5688	C.2	1	noname	-0.0325
7	C6    -1.0147     1.5436     0.4941	C.2	1	noname	-0.0208
8	C7    -0.1512     1.5823     1.5826	C.2	1	noname	-0.0472
9	C8     2.9263    -1.2408    -0.5688	C.2	1	noname	-0.0419
10	C9    -2.1142     2.3438     0.4695	C.2	1	noname	-0.0756
11	C10     4.0257    -2.0409    -0.5443	C.2	1	noname	-0.0406
12	N1    -2.3528     3.1294     1.4450	N.2	1	noname	-0.2744
13	N2    -2.9280     2.3074    -0.5564	N.3	1	noname	-0.1372
14	C11     4.6469    -2.4053    -1.7332	C.2	1	noname	-0.0427
15	C12     4.5283    -2.4944     0.6698	C.2	1	noname	-0.0427
16	C13     5.7705    -3.2231    -1.7081	C.2	1	noname	-0.0339
17	C14     5.6520    -3.3122     0.6949	C.2	1	noname	-0.0339
18	C15     6.2731    -3.6766    -0.4941	C.2	1	noname	-0.0269
19	C16     7.3725    -4.4767    -0.4695	C.2	1	noname	-0.0773
20	N3     7.8335    -4.8927     0.6441	N.2	1	noname	-0.2746
21	N4     7.9579    -4.8201    -1.5900	N.3	1	noname	-0.1374
22	H1     0.5490    -1.8725    -1.2802	H	1	noname	0.2182
23	H2    -1.4318     0.6568    -1.4229	H	1	noname	0.0657
24	H3     1.6497     0.7948     2.4613	H	1	noname	0.0630
25	H4     2.7413    -1.2580     1.5105	H	1	noname	0.0630
26	H5    -0.3552     2.2540     2.4165	H	1	noname	0.0630
27	H6     2.5170    -0.8749    -1.5105	H	1	noname	0.0629
28	H7    -2.5552     2.5869     2.2725	H	1	noname	0.1888
29	H8    -3.9270     2.2933    -0.4082	H	1	noname	0.1257
30	H9    -2.5565     2.2933    -1.4954	H	1	noname	0.1257
31	H10     4.2527    -2.0497    -2.6852	H	1	noname	0.0629
32	H11     4.0413    -2.2087     1.6021	H	1	noname	0.0629
33	H12     6.2576    -3.5088    -2.6404	H	1	noname	0.0630
34	H13     6.0461    -3.6678     1.6469	H	1	noname	0.0630
35	H14     7.8364    -5.9027     0.6511	H	1	noname	0.1888
36	H15     7.4083    -4.9525    -2.4270	H	1	noname	0.1257
37	H16     8.9588    -4.9525    -1.6170	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	2
8	6	9	2
9	7	10	1
10	7	8	1
11	9	11	1
12	10	12	2
13	10	13	1
14	11	14	2
15	11	15	1
16	14	16	1
17	15	17	2
18	16	18	2
19	17	18	1
20	18	19	1
21	19	20	2
22	19	21	1
23	1	22	1
24	4	23	1
25	5	24	1
26	6	25	1
27	8	26	1
28	9	27	1
29	12	28	1
30	13	29	1
31	13	30	1
32	14	31	1
33	15	32	1
34	16	33	1
35	17	34	1
36	20	35	1
37	21	36	1
38	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1