@<TRIPOS>MOLECULE
70269372
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5875    -1.1706    -2.6845	O.3	1	noname	-0.3920
2	O2    -0.9210     1.7565    -2.0060	O.3	1	noname	-0.2169
3	O3     1.0689     0.9577    -2.6948	O.2	1	noname	-0.2534
4	N1     1.1229     0.6405     0.8681	N.3	1	noname	-0.2994
5	C1    -0.1933     0.1302     0.3844	C.3	1	noname	0.0243
6	C2     1.9313    -0.5851     1.0673	C.3	1	noname	0.0122
7	C3    -0.0754    -0.3414    -1.1067	C.3	1	noname	0.0863
8	C4    -0.4803    -1.0021     1.3980	C.3	1	noname	-0.0351
9	C5     0.9218    -1.4108     1.9036	C.3	1	noname	-0.0359
10	C6     2.3384    -1.1369    -0.3596	C.3	1	noname	-0.0104
11	C7     1.1295    -1.3087    -1.3475	C.3	1	noname	0.0693
12	C8     0.9414     1.3183     2.1507	C.3	1	noname	-0.0127
13	C9     0.0545     0.8237    -1.9768	C.2	1	noname	0.1385
14	H1    -0.9456     0.9214     0.5064	H	1	noname	0.0476
15	H2     2.8518    -0.4273     1.6295	H	1	noname	0.0468
16	H3    -1.0003    -0.7986    -1.4583	H	1	noname	0.0452
17	H4    -1.0650    -0.6066     2.2286	H	1	noname	0.0283
18	H5    -1.0062    -1.8115     0.8918	H	1	noname	0.0283
19	H6     1.0199    -1.1461     2.9564	H	1	noname	0.0283
20	H7     1.1270    -2.4705     1.7518	H	1	noname	0.0283
21	H8     2.8539    -2.0906    -0.2468	H	1	noname	0.0309
22	H9     3.0294    -0.4074    -0.7820	H	1	noname	0.0309
23	H10     0.7425    -2.3117    -1.1677	H	1	noname	0.0609
24	H11     1.9028     1.6910     2.5040	H	1	noname	0.0394
25	H12     0.2516     2.1531     2.0260	H	1	noname	0.0394
26	H13     0.5342     0.6162     2.8783	H	1	noname	0.0394
27	H14     2.3426    -1.7768    -2.8354	H	1	noname	0.2104
28	H15    -0.6996     2.6911    -2.2005	H	1	noname	0.2213
@<TRIPOS>BOND
1	11	1	1
2	1	27	1
3	2	13	1
4	2	28	1
5	3	13	2
6	4	5	1
7	4	6	1
8	4	12	1
9	5	7	1
10	5	8	1
11	5	14	1
12	6	9	1
13	6	10	1
14	6	15	1
15	7	11	1
16	7	13	1
17	7	16	1
18	8	9	1
19	8	17	1
20	8	18	1
21	9	19	1
22	9	20	1
23	10	11	1
24	10	21	1
25	10	22	1
26	11	23	1
27	12	24	1
28	12	25	1
29	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1