@<TRIPOS>MOLECULE
DB03011
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     8.1717     1.0109     2.2231	S.2	1	noname	-0.0353
2	P1     7.0127     0.6786     0.7288	P	1	noname	-0.0542
3	S2     6.6050     2.3382    -0.1463	S.3	1	noname	-0.0194
4	O1     5.7091     0.0263     1.2255	O.3	1	noname	-0.2107
5	O2     7.7138    -0.2668    -0.2643	O.3	1	noname	-0.2231
6	C1     4.8519    -0.2194     0.1204	C.3	1	noname	0.0879
7	C2     3.5567    -0.8674     0.6138	C.3	1	noname	0.1129
8	O3     2.9162    -0.0038     1.5211	O.3	1	noname	-0.3483
9	C3     2.6040    -1.0666    -0.5670	C.3	1	noname	0.1127
10	C4     1.5666    -0.4315     1.4547	C.3	1	noname	0.1590
11	O4     2.4960    -2.4520    -0.8595	O.3	1	noname	-0.3873
12	C5     1.2670    -0.5520    -0.0412	C.3	1	noname	0.1258
13	N1     0.7294     0.4169     2.2447	N.3	1	noname	0.0257
14	O5     0.2666    -1.5388    -0.2456	O.3	1	noname	-0.3857
15	C6     0.9039     0.6442     3.5660	C.2	1	noname	0.1238
16	C7    -0.3419     1.1714     1.8536	C.2	1	noname	-0.0362
17	N2     1.8084     0.1487     4.4645	N.2	1	noname	-0.2441
18	C8    -0.0706     1.5899     3.9172	C.2	1	noname	0.0254
19	N3    -0.8347     1.8937     2.8741	N.2	1	noname	-0.2172
20	C9     1.7824     0.6097     5.7590	C.2	1	noname	0.0503
21	C10    -0.0874     2.0630     5.2434	C.2	1	noname	0.0729
22	N4     0.8438     1.5533     6.1008	N.2	1	noname	-0.2575
23	N5    -0.9811     2.9763     5.6470	N.3	1	noname	-0.1031
24	H1     6.3762     3.2694     0.7608	H	1	noname	0.1155
25	H2     8.2071    -0.9321     0.2210	H	1	noname	0.2244
26	H3     4.6059     0.7637    -0.2811	H	1	noname	0.0604
27	H4     5.3777    -0.9454    -0.4997	H	1	noname	0.0604
28	H5     3.7663    -1.7910     1.1534	H	1	noname	0.0657
29	H6     2.9310    -0.6206    -1.5063	H	1	noname	0.0657
30	H7     1.3931    -1.3730     1.9757	H	1	noname	0.0853
31	H8     2.4572    -2.9501    -0.0398	H	1	noname	0.2106
32	H9     0.8597     0.3321    -0.5315	H	1	noname	0.0674
33	H10    -0.0516    -1.8527     0.6040	H	1	noname	0.2107
34	H11    -0.7551     1.1945     0.8452	H	1	noname	0.1016
35	H12     2.4906     0.2353     6.4982	H	1	noname	0.1062
36	H13    -0.6927     3.9322     5.7991	H	1	noname	0.1258
37	H14    -1.9430     2.7087     5.7991	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	2	5	1
5	4	6	1
6	7	6	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	12	14	1
15	13	15	1
16	13	16	1
17	15	17	2
18	15	18	1
19	16	19	2
20	17	20	1
21	18	21	2
22	18	19	1
23	20	22	2
24	21	23	1
25	21	22	1
26	3	24	1
27	5	25	1
28	6	26	1
29	6	27	1
30	7	28	1
31	9	29	1
32	10	30	1
33	11	31	1
34	12	32	1
35	14	33	1
36	16	34	1
37	20	35	1
38	23	36	1
39	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1