@<TRIPOS>MOLECULE
76971273
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9240     3.6229    -0.5164	O.3	1	noname	-0.2625
2	O2     1.8219    -1.1203    -0.6367	O.3	1	noname	-0.2776
3	O3    -0.5477     3.6461     0.6659	O.3	1	noname	-0.2692
4	N1    -2.2494    -2.8440    -0.3517	N.3	1	noname	-0.3301
5	C1    -0.0157     0.0657     0.2840	C.2	1	noname	-0.0279
6	C2    -0.7014    -1.1919     0.5669	C.3	1	noname	0.0242
7	C3     1.2382     0.0539    -0.3158	C.2	1	noname	-0.0074
8	C4     1.2899     2.4601    -0.2548	C.2	1	noname	0.0270
9	C5    -0.6168     1.2746     0.6144	C.2	1	noname	-0.0151
10	C6     0.0360     2.4719     0.3450	C.2	1	noname	0.0125
11	C7     2.7234     3.9875     0.5991	C.3	1	noname	0.0588
12	C8     1.8910     1.2511    -0.5852	C.2	1	noname	0.0064
13	C9    -1.5627    -1.5848    -0.6350	C.3	1	noname	-0.0035
14	C10     3.4419     5.3054     0.3026	C.3	1	noname	-0.0384
15	C11     3.7572     2.8917     0.8657	C.3	1	noname	-0.0384
16	C12     2.6037    -1.5750     0.4581	C.3	1	noname	0.0423
17	C13    -1.3295     4.1008    -0.4289	C.3	1	noname	0.0424
18	H1    -1.3363    -1.0701     1.4445	H	1	noname	0.0330
19	H2     0.0351    -1.9726     0.7568	H	1	noname	0.0330
20	H3    -1.5369     1.2833     1.0545	H	1	noname	0.0654
21	H4     2.0885     4.1094     1.4767	H	1	noname	0.0602
22	H5     2.8111     1.2425    -1.0253	H	1	noname	0.0678
23	H6    -2.2993    -0.8041    -0.8249	H	1	noname	0.0429
24	H7    -0.9279    -1.7066    -1.5126	H	1	noname	0.0429
25	H8     4.0555     5.5853     1.1589	H	1	noname	0.0257
26	H9     4.3708     3.1716     1.7220	H	1	noname	0.0257
27	H10     3.2453     1.9528     1.0769	H	1	noname	0.0257
28	H11     4.3921     2.7698    -0.0119	H	1	noname	0.0257
29	H12     2.7054     6.0861     0.1127	H	1	noname	0.0257
30	H13     4.0768     5.1835    -0.5750	H	1	noname	0.0257
31	H14    -2.8247    -3.1065    -1.1546	H	1	noname	0.1184
32	H15    -2.8446    -2.7298     0.4712	H	1	noname	0.1184
33	H16     3.0750    -2.5231     0.1990	H	1	noname	0.0535
34	H17     1.9632    -1.7138     1.3291	H	1	noname	0.0535
35	H18     3.3729    -0.8373     0.6865	H	1	noname	0.0535
36	H19    -1.8008     5.0489    -0.1698	H	1	noname	0.0535
37	H20    -2.0987     3.3631    -0.6573	H	1	noname	0.0535
38	H21    -0.6890     4.2395    -1.2999	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	1
2	1	11	1
3	2	7	1
4	2	16	1
5	3	10	1
6	3	17	1
7	4	13	1
8	4	31	1
9	4	32	1
10	5	6	1
11	5	7	1
12	5	9	2
13	6	13	1
14	6	18	1
15	6	19	1
16	7	12	2
17	8	10	2
18	8	12	1
19	9	10	1
20	9	20	1
21	11	14	1
22	11	15	1
23	11	21	1
24	12	22	1
25	13	23	1
26	13	24	1
27	14	25	1
28	14	29	1
29	14	30	1
30	15	26	1
31	15	27	1
32	15	28	1
33	16	33	1
34	16	34	1
35	16	35	1
36	17	36	1
37	17	37	1
38	17	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1