@<TRIPOS>MOLECULE
76966805
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9528     1.9341    -0.5823	O.3	1	noname	-0.2138
2	O2     2.8441     3.4859    -1.5211	O.2	1	noname	-0.2494
3	O3     2.9761    -1.7706    -1.5608	O.2	1	noname	-0.2961
4	O4     8.9738    -2.1458    -2.4400	O.3	1	noname	-0.2140
5	O5     6.9391    -1.9052    -3.3752	O.2	1	noname	-0.2496
6	N1     2.7658     0.2373    -2.4641	N.3	1	noname	-0.0713
7	N2     8.5133     0.7050    -2.0005	N.3	1	noname	-0.3194
8	C1     2.9419     3.4048    -4.5408	C.3	1	noname	-0.0148
9	C2     2.2172     4.1634    -5.7316	C.3	1	noname	-0.0253
10	C3     2.1268     4.5417    -4.3845	C.2	1	noname	-0.0823
11	C4     2.3133     2.1013    -4.0055	C.3	1	noname	-0.0208
12	C5     3.2074     1.5024    -2.9068	C.3	1	noname	0.1005
13	C6     1.5904     5.4230    -3.5365	C.2	1	noname	-0.0904
14	C7     3.3259     2.3524    -1.6841	C.2	1	noname	0.1440
15	C8     3.5822    -0.7597    -1.9655	C.2	1	noname	0.0408
16	C9     5.0617    -0.8928    -1.7725	C.3	1	noname	0.0232
17	C10     6.1219     0.2076    -2.0592	C.3	1	noname	-0.0201
18	C11     7.5163    -0.3298    -1.7308	C.3	1	noname	0.0917
19	C12     7.7939    -1.5005    -2.5579	C.2	1	noname	0.1437
20	H1     3.9895     3.6254    -4.3707	H	1	noname	0.0352
21	H2     1.3181     3.6171    -6.0167	H	1	noname	0.0318
22	H3     2.4604     5.1154    -6.2034	H	1	noname	0.0318
23	H4     1.3268     2.3157    -3.5945	H	1	noname	0.0294
24	H5     2.2132     1.4149    -4.8463	H	1	noname	0.0294
25	H6     4.1400     1.3291    -3.4121	H	1	noname	0.0578
26	H7     0.9307     6.0839    -3.8821	H	1	noname	0.0537
27	H8     1.8272     5.4266    -2.5684	H	1	noname	0.0537
28	H9     1.8096     0.0476    -2.4419	H	1	noname	0.1318
29	H10     5.2621    -1.3463    -0.8017	H	1	noname	0.0361
30	H11     5.3426    -1.7422    -2.3951	H	1	noname	0.0361
31	H12     5.9146     1.0815    -1.4418	H	1	noname	0.0293
32	H13     6.0791     0.4878    -3.1117	H	1	noname	0.0293
33	H14     7.5590    -0.6101    -0.6784	H	1	noname	0.0571
34	H15     4.0151     2.5496     0.1711	H	1	noname	0.2213
35	H16     8.3189     1.5244    -1.4216	H	1	noname	0.1191
36	H17     8.4731     0.9678    -2.9873	H	1	noname	0.1191
37	H18     9.0256    -3.1084    -2.6162	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	14	1
2	1	34	1
3	2	14	2
4	3	15	2
5	4	19	1
6	4	37	1
7	5	19	2
8	12	6	1
9	6	15	1
10	6	28	1
11	18	7	1
12	7	35	1
13	7	36	1
14	8	9	1
15	8	10	1
16	8	11	1
17	8	20	1
18	9	10	1
19	9	21	1
20	9	22	1
21	10	13	2
22	11	12	1
23	11	23	1
24	11	24	1
25	12	14	1
26	12	25	1
27	13	26	1
28	13	27	1
29	15	16	1
30	16	17	1
31	16	29	1
32	16	30	1
33	17	18	1
34	17	31	1
35	17	32	1
36	18	19	1
37	18	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1