@<TRIPOS>MOLECULE
91800246
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7268    -2.9705     2.6814	O.2	1	noname	-0.2971
2	O2     2.6702    -3.4485    -1.0312	O.3	1	noname	-0.2728
3	O3     4.1749    -1.0976    -0.8316	O.3	1	noname	-0.2611
4	O4    -4.8694     2.5464     3.6320	O.3	1	noname	-0.3915
5	O5     2.6293     1.7424     1.4837	O.3	1	noname	-0.2238
6	O6     4.3350     0.7554     1.7210	O.2	1	noname	-0.2543
7	N1     3.4130     0.8657     1.0174	N.2	1	noname	-0.1955
8	C1     0.8441    -1.6957     1.6520	C.2	1	noname	-0.0082
9	C2    -1.2242    -0.6963     2.7376	C.2	1	noname	-0.0155
10	C3    -0.3754    -1.8040     2.3739	C.2	1	noname	0.0616
11	C4     1.7389    -0.6093     1.8532	C.2	1	noname	0.0238
12	C5    -2.7718     1.4928     3.6729	C.2	1	noname	-0.0247
13	C6     1.1816    -2.6580     0.6589	C.2	1	noname	0.0125
14	C7     2.7633    -0.3231     0.9331	C.2	1	noname	0.0609
15	C8    -2.3535    -0.9128     3.5866	C.2	1	noname	-0.0154
16	C9    -0.9916     0.6488     2.2594	C.2	1	noname	-0.0154
17	C10     2.3121    -2.4604    -0.1668	C.2	1	noname	0.0480
18	C11     3.0885    -1.2846    -0.0449	C.2	1	noname	0.0805
19	C12    -3.1228     0.1786     4.0679	C.2	1	noname	-0.0355
20	C13    -1.7118     1.7441     2.7889	C.2	1	noname	-0.0355
21	C14    -3.5305     2.6622     4.0907	C.3	1	noname	0.0683
22	H1     1.6165     0.0183     2.6492	H	1	noname	0.0665
23	H2     0.5971    -3.5003     0.5186	H	1	noname	0.0658
24	H3    -2.6251    -1.8542     3.8896	H	1	noname	0.0630
25	H4    -0.3206     0.8995     1.5110	H	1	noname	0.0630
26	H5    -3.9162     0.0189     4.6888	H	1	noname	0.0626
27	H6    -1.4651     2.7001     2.5327	H	1	noname	0.0626
28	H7    -3.5238     2.7299     5.1786	H	1	noname	0.0614
29	H8    -3.0779     3.5591     3.6680	H	1	noname	0.0614
30	H9     2.0470    -4.1999    -0.9447	H	1	noname	0.2183
31	H10     4.2610    -1.8498    -1.4538	H	1	noname	0.2184
32	H11    -5.3804     3.3339     3.9134	H	1	noname	0.2105
33	H12     3.0983     2.6007     1.5446	H	1	noname	0.2597
34	H13     3.6998     1.1252     0.1661	H	1	noname	0.2776
@<TRIPOS>BOND
1	1	10	2
2	2	17	1
3	2	30	1
4	3	18	1
5	3	31	1
6	4	21	1
7	4	32	1
8	5	7	1
9	5	33	1
10	6	7	2
11	7	14	1
12	7	34	1
13	8	10	1
14	8	11	2
15	8	13	1
16	9	10	1
17	9	15	2
18	9	16	1
19	11	14	1
20	11	22	1
21	12	19	2
22	12	20	1
23	12	21	1
24	13	17	2
25	13	23	1
26	14	18	2
27	15	19	1
28	15	24	1
29	16	20	2
30	16	25	1
31	17	18	1
32	19	26	1
33	20	27	1
34	21	28	1
35	21	29	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1