@<TRIPOS>MOLECULE
71628809
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6454    -2.5512    -0.0206	O.2	1	noname	-0.2904
2	O2     3.4137     1.9023    -0.5672	O.3	1	noname	-0.2771
3	N1    -1.3169    -2.0031    -1.5300	N.3	1	noname	-0.3015
4	C1    -0.4449    -1.3013    -0.5542	C.3	1	noname	0.1030
5	C2    -1.3734    -0.5867     0.4969	C.3	1	noname	-0.0234
6	C3    -2.2397    -1.5496     1.3599	C.3	1	noname	-0.0503
7	C4    -1.3271    -2.6219     2.0048	C.3	1	noname	-0.0462
8	C5     0.4083    -2.4430     0.1218	C.2	1	noname	0.1504
9	C6    -0.4475    -3.4279     0.9894	C.3	1	noname	0.0084
10	C7     0.3921    -0.2243    -1.2241	C.2	1	noname	-0.0333
11	C8    -0.4877    -2.6809    -2.5252	C.3	1	noname	-0.0064
12	C9     1.5248     0.3779    -0.5506	C.2	1	noname	-0.0189
13	C10     0.0645     0.2405    -2.5550	C.2	1	noname	-0.0604
14	C11     2.3462     1.3613    -1.1920	C.2	1	noname	0.0028
15	C12    -1.3862    -3.4040    -3.5305	C.3	1	noname	-0.0526
16	C13     0.8553     1.2216    -3.2233	C.2	1	noname	-0.0488
17	C14     1.9878     1.7452    -2.5212	C.2	1	noname	-0.0302
18	C15     4.5676     1.1206    -0.8390	C.3	1	noname	0.0423
19	H1    -2.0214     0.1247    -0.0151	H	1	noname	0.0293
20	H2    -0.7044    -0.0647     1.1811	H	1	noname	0.0293
21	H3    -2.9815    -2.0367     0.7270	H	1	noname	0.0267
22	H4    -2.7974    -0.9977     2.1165	H	1	noname	0.0267
23	H5    -1.9353    -3.3137     2.5876	H	1	noname	0.0271
24	H6    -0.6356    -2.0786     2.6488	H	1	noname	0.0271
25	H7    -1.0925    -4.0186     0.3389	H	1	noname	0.0347
26	H8     0.1978    -4.1578     1.4782	H	1	noname	0.0347
27	H9    -1.8917    -2.6915    -1.0396	H	1	noname	0.1235
28	H10     0.1252    -1.9468    -3.0481	H	1	noname	0.0425
29	H11     0.1576    -3.4051    -2.0281	H	1	noname	0.0425
30	H12     1.7431     0.0945     0.4047	H	1	noname	0.0653
31	H13    -0.7537    -0.1437    -3.0276	H	1	noname	0.0626
32	H14    -0.7680    -3.9093    -4.2725	H	1	noname	0.0243
33	H15    -2.0316    -2.6798    -4.0277	H	1	noname	0.0243
34	H16    -1.9992    -4.1382    -3.0076	H	1	noname	0.0243
35	H17     0.6230     1.5378    -4.1649	H	1	noname	0.0623
36	H18     2.5727     2.4320    -2.9971	H	1	noname	0.0650
37	H19     5.4294     1.5574    -0.3345	H	1	noname	0.0535
38	H20     4.4114     0.1043    -0.4773	H	1	noname	0.0535
39	H21     4.7476     1.1000    -1.9138	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	2
2	2	14	1
3	2	18	1
4	3	4	1
5	3	11	1
6	3	27	1
7	4	5	1
8	4	8	1
9	4	10	1
10	5	6	1
11	5	19	1
12	5	20	1
13	6	7	1
14	6	21	1
15	6	22	1
16	7	9	1
17	7	23	1
18	7	24	1
19	8	9	1
20	9	25	1
21	9	26	1
22	10	12	2
23	10	13	1
24	11	15	1
25	11	28	1
26	11	29	1
27	12	14	1
28	12	30	1
29	13	16	2
30	13	31	1
31	14	17	2
32	15	32	1
33	15	33	1
34	15	34	1
35	16	17	1
36	16	35	1
37	17	36	1
38	18	37	1
39	18	38	1
40	18	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1