@<TRIPOS>MOLECULE
71587708
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5456     1.6345    -0.0186	O.3	1	noname	-0.2056
2	O2    -0.3740     1.3647     1.8858	O.2	1	noname	-0.2541
3	O3    -4.7011     1.2512    -2.6113	O.3	1	noname	-0.2134
4	O4    -2.8828     0.2145    -1.7796	O.2	1	noname	-0.2488
5	N1    -5.2180     1.4751     0.2548	N.3	1	noname	-0.3175
6	C1     3.2116     0.3649     0.0721	C.3	1	noname	-0.0528
7	C2     4.3567     0.0810     1.0463	C.3	1	noname	-0.0533
8	C3     1.9487     0.7204     0.8593	C.3	1	noname	-0.0439
9	C4     5.6196    -0.2746     0.2591	C.3	1	noname	-0.0535
10	C5     0.8035     1.0043    -0.1149	C.3	1	noname	0.0337
11	C6     6.7647    -0.5585     1.2333	C.3	1	noname	-0.0561
12	C7     8.0276    -0.9140     0.4461	C.3	1	noname	-0.0654
13	C8    -0.4016     1.3436     0.6363	C.2	1	noname	0.1405
14	C9    -2.8001     1.3469     0.5815	C.3	1	noname	0.0811
15	C10    -3.9265     1.7712    -0.3630	C.3	1	noname	0.1155
16	C11    -3.8091     1.0386    -1.6205	C.2	1	noname	0.1449
17	H1     3.0237    -0.5202    -0.5357	H	1	noname	0.0267
18	H2     3.4833     1.1989    -0.5749	H	1	noname	0.0267
19	H3     4.0850    -0.7531     1.6933	H	1	noname	0.0266
20	H4     4.5445     0.9661     1.6541	H	1	noname	0.0266
21	H5     1.6770    -0.1137     1.5063	H	1	noname	0.0272
22	H6     2.1365     1.6055     1.4671	H	1	noname	0.0272
23	H7     5.4317    -1.1597    -0.3487	H	1	noname	0.0266
24	H8     5.8913     0.5595    -0.3879	H	1	noname	0.0266
25	H9     0.6157     0.1192    -0.7226	H	1	noname	0.0372
26	H10     1.0753     1.8384    -0.7619	H	1	noname	0.0372
27	H11     6.4930    -1.3926     1.8803	H	1	noname	0.0264
28	H12     6.9526     0.3266     1.8411	H	1	noname	0.0264
29	H13     8.8434    -1.1163     1.1401	H	1	noname	0.0230
30	H14     7.8397    -1.7992    -0.1617	H	1	noname	0.0230
31	H15     8.2993    -0.0800    -0.2009	H	1	noname	0.0230
32	H16    -2.8729     0.2769     0.7762	H	1	noname	0.0595
33	H17    -2.8877     1.8938     1.5202	H	1	noname	0.0595
34	H18    -3.8537     2.8412    -0.5578	H	1	noname	0.0596
35	H19    -5.9704     1.7585    -0.3761	H	1	noname	0.1192
36	H20    -5.2863     0.4719     0.4374	H	1	noname	0.1192
37	H21    -4.9232     0.5280    -3.2342	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	13	1
2	1	14	1
3	2	13	2
4	3	16	1
5	3	37	1
6	4	16	2
7	15	5	1
8	5	35	1
9	5	36	1
10	6	7	1
11	6	8	1
12	6	17	1
13	6	18	1
14	7	9	1
15	7	19	1
16	7	20	1
17	8	10	1
18	8	21	1
19	8	22	1
20	9	11	1
21	9	23	1
22	9	24	1
23	10	13	1
24	10	25	1
25	10	26	1
26	11	12	1
27	11	27	1
28	11	28	1
29	12	29	1
30	12	30	1
31	12	31	1
32	14	15	1
33	14	32	1
34	14	33	1
35	15	16	1
36	15	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1