@<TRIPOS>MOLECULE
128710
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.1184     1.7436     0.4466	O.2	1	noname	-0.2759
2	C1     3.9429     1.3193     0.4747	C.2	1	noname	0.1340
3	N1     2.9664     2.0109    -0.1285	N.3	1	noname	-0.1090
4	C2     3.6340     0.0703     1.1646	C.3	1	noname	0.0099
5	C3     1.7063     1.5560    -0.0984	C.2	1	noname	0.0458
6	N2     1.3493     0.2634    -0.0390	N.2	1	noname	-0.2020
7	C4     0.5637     2.3500    -0.1239	C.2	1	noname	-0.0791
8	C5     0.0176     0.2019    -0.0256	C.2	1	noname	0.0001
9	N3    -0.4471     1.4775    -0.0776	N.3	1	noname	-0.1147
10	C6    -0.7741    -0.9653     0.0318	C.2	1	noname	0.0110
11	C7    -1.7718     1.7767    -0.0800	C.2	1	noname	-0.0683
12	C8    -2.1524    -0.6631     0.0298	C.2	1	noname	0.0092
13	C9    -2.7066     0.6810    -0.0245	C.2	1	noname	-0.0209
14	C10    -4.1421     0.9103    -0.0230	C.2	1	noname	-0.0195
15	C11    -5.0546    -0.2015     0.0330	C.2	1	noname	0.0125
16	C12    -4.6794     2.2518    -0.0773	C.2	1	noname	-0.0247
17	C13    -6.4311     0.0858     0.0316	C.2	1	noname	0.0443
18	C14    -6.0553     2.5624    -0.0797	C.2	1	noname	0.0027
19	N4    -7.4663    -0.7563     0.0767	N.2	1	noname	-0.2007
20	C15    -6.8771     1.4136    -0.0229	C.2	1	noname	0.0283
21	C16    -8.5629     0.0345     0.0510	C.2	1	noname	0.1318
22	O2    -8.2177     1.3504    -0.0093	O.3	1	noname	-0.3544
23	N5    -9.8240    -0.4176     0.0810	N.3	1	noname	-0.0643
24	H1     3.1802     2.8749    -0.6057	H	1	noname	0.1386
25	H2     3.6737     0.2308     2.2420	H	1	noname	0.0324
26	H3     2.6348    -0.2626     0.8835	H	1	noname	0.0324
27	H4     4.3627    -0.6900     0.8835	H	1	noname	0.0324
28	H5     0.4777     3.4356    -0.1707	H	1	noname	0.0830
29	H6    -0.3703    -1.9769     0.0728	H	1	noname	0.0659
30	H7    -2.0649     2.8256    -0.1235	H	1	noname	0.0802
31	H8    -2.8281    -1.5173     0.0726	H	1	noname	0.0630
32	H9    -4.7117    -1.2353     0.0754	H	1	noname	0.0652
33	H10    -3.9921     3.0968    -0.1198	H	1	noname	0.0630
34	H11    -6.4419     3.5807    -0.1211	H	1	noname	0.0651
35	H12   -10.5944     0.2355     0.0923	H	1	noname	0.1278
36	H13   -10.0041    -1.4113     0.0923	H	1	noname	0.1278
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	5	6	1
6	5	7	2
7	6	8	2
8	7	9	1
9	8	10	1
10	8	9	1
11	9	11	1
12	10	12	2
13	11	13	2
14	12	13	1
15	13	14	1
16	14	15	2
17	14	16	1
18	15	17	1
19	16	18	2
20	17	19	1
21	17	20	2
22	18	20	1
23	19	21	2
24	20	22	1
25	21	23	1
26	21	22	1
27	3	24	1
28	4	25	1
29	4	26	1
30	4	27	1
31	7	28	1
32	10	29	1
33	11	30	1
34	12	31	1
35	15	32	1
36	16	33	1
37	18	34	1
38	23	35	1
39	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1