@<TRIPOS>MOLECULE
50305646
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1514    -2.9004    -1.2349	O.3	1	noname	-0.3786
2	C1     2.0977    -1.9608    -0.1081	C.3	1	noname	0.0599
3	C2     1.0697    -2.9944    -2.2249	C.3	1	noname	0.0599
4	C3     0.6668    -1.5599     0.3770	C.3	1	noname	0.0282
5	C4    -0.2294    -2.2044    -1.8856	C.3	1	noname	0.0282
6	N1    -0.3682    -2.1462    -0.4528	N.3	1	noname	-0.0867
7	C5    -1.4881    -2.7492     0.0746	C.2	1	noname	0.0454
8	N2    -1.5266    -4.1284     0.1123	N.2	1	noname	-0.2379
9	C6    -2.6621    -2.0522     0.4645	C.2	1	noname	0.0241
10	C7    -2.6287    -4.8563     0.4609	C.2	1	noname	0.0471
11	N3    -2.9954    -0.7601     0.5424	N.3	1	noname	-0.0199
12	C8    -3.7841    -2.8169     0.8151	C.2	1	noname	0.0917
13	N4    -3.7631    -4.1802     0.8008	N.2	1	noname	-0.2194
14	C9    -2.5948    -6.2458     0.4690	C.2	1	noname	-0.0317
15	C10    -4.2844    -0.7213     0.9483	C.2	1	noname	-0.0287
16	N5    -4.7721    -1.9704     1.1181	N.2	1	noname	-0.1918
17	C11    -3.7281    -6.9666     0.8271	C.2	1	noname	-0.0122
18	C12    -1.4276    -6.9146     0.1189	C.2	1	noname	-0.0122
19	C13    -3.6942    -8.3562     0.8351	C.2	1	noname	-0.0199
20	C14    -1.3938    -8.3042     0.1269	C.2	1	noname	-0.0199
21	C15    -2.5270    -9.0250     0.4850	C.2	1	noname	0.0138
22	O2    -2.4941   -10.3745     0.4928	O.3	1	noname	-0.2842
23	H1     2.5652    -2.5037     0.7134	H	1	noname	0.0580
24	H2     2.5615    -1.0538    -0.4958	H	1	noname	0.0580
25	H3     1.4867    -2.5364    -3.1218	H	1	noname	0.0580
26	H4     0.7997    -4.0504    -2.2273	H	1	noname	0.0580
27	H5     0.5175    -1.9995     1.3632	H	1	noname	0.0459
28	H6     0.5608    -0.4839     0.2382	H	1	noname	0.0459
29	H7    -0.0967    -1.1724    -2.2103	H	1	noname	0.0459
30	H8    -1.0831    -2.7819    -2.2405	H	1	noname	0.0459
31	H9    -2.3958     0.0262     0.3366	H	1	noname	0.1539
32	H10    -4.8534     0.1932     1.1159	H	1	noname	0.1014
33	H11    -4.6433    -6.4422     1.1016	H	1	noname	0.0631
34	H12    -0.5390    -6.3494    -0.1620	H	1	noname	0.0631
35	H13    -4.5829    -8.9214     1.1160	H	1	noname	0.0650
36	H14    -0.4785    -8.8286    -0.1476	H	1	noname	0.0650
37	H15    -2.4865   -10.6892     1.3998	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	6	1
7	6	7	1
8	7	8	2
9	7	9	1
10	8	10	1
11	9	11	1
12	9	12	2
13	10	13	2
14	10	14	1
15	11	15	1
16	12	16	1
17	12	13	1
18	14	17	2
19	14	18	1
20	15	16	2
21	17	19	1
22	18	20	2
23	19	21	2
24	20	21	1
25	21	22	1
26	2	23	1
27	2	24	1
28	3	25	1
29	3	26	1
30	4	27	1
31	4	28	1
32	5	29	1
33	5	30	1
34	11	31	1
35	15	32	1
36	17	33	1
37	18	34	1
38	19	35	1
39	20	36	1
40	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1