@<TRIPOS>MOLECULE
50341043
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4865     4.6598    -2.3103	O.3	1	noname	-0.3473
2	N1    -0.0200     3.4647    -2.4740	N.2	1	noname	-0.1628
3	C1     1.5018     4.6249    -1.4166	C.2	1	noname	0.0885
4	C2     0.6432     2.5925    -1.7040	C.2	1	noname	0.0949
5	C3     1.6289     3.3044    -1.0131	C.2	1	noname	0.0758
6	N2     0.3236     1.2650    -1.6451	N.3	1	noname	0.0532
7	C4     1.0607     0.4204    -0.8937	C.2	1	noname	0.0120
8	N3     2.2021    -0.0481    -1.4350	N.2	1	noname	-0.2297
9	N4     0.9341     0.1242     0.4333	N.3	1	noname	0.0018
10	C5     2.8400    -0.6391    -0.4259	C.2	1	noname	0.0075
11	C6    -0.0987     0.4632     1.2819	C.2	1	noname	0.1040
12	C7     2.0597    -0.5445     0.7547	C.2	1	noname	-0.0647
13	C8     4.0815    -1.3171    -0.4962	C.2	1	noname	-0.0099
14	N5    -1.3556     0.6453     0.7772	N.2	1	noname	-0.2232
15	N6     0.1288     0.5934     2.6302	N.2	1	noname	-0.2440
16	C9     2.5203    -1.1413     1.9704	C.2	1	noname	-0.0354
17	C10     4.5168    -1.9326     0.7112	C.2	1	noname	-0.0437
18	C11    -2.3996     0.9168     1.6152	C.2	1	noname	0.0931
19	C12    -0.8982     0.8634     3.4880	C.2	1	noname	0.0654
20	C13     3.7595    -1.8473     1.9239	C.2	1	noname	-0.0472
21	N7    -2.1498     1.0101     2.9554	N.2	1	noname	-0.2522
22	N8    -3.6388     1.0874     1.1346	N.3	1	noname	-0.0767
23	C14    -0.6688     0.9913     4.9242	C.3	1	noname	0.0700
24	H1     2.0929     5.4806    -1.0904	H	1	noname	0.0925
25	H2     2.3530     2.9085    -0.3010	H	1	noname	0.0679
26	H3    -0.4654     0.9043    -2.1623	H	1	noname	0.1387
27	H4     4.6627    -1.3621    -1.4172	H	1	noname	0.0645
28	H5     1.9495    -1.0613     2.8955	H	1	noname	0.0643
29	H6     5.4565    -2.4848     0.7071	H	1	noname	0.0623
30	H7     4.1331    -2.3285     2.8278	H	1	noname	0.0623
31	H8    -3.9865     2.0182     0.9535	H	1	noname	0.1273
32	H9    -4.2251     0.2852     0.9535	H	1	noname	0.1273
33	H10    -0.5976    -0.0006     5.3705	H	1	noname	0.0312
34	H11     0.2600     1.5350     5.0968	H	1	noname	0.0312
35	H12    -1.4977     1.5350     5.3775	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	3	5	2
5	4	6	1
6	4	5	1
7	6	7	1
8	7	8	2
9	7	9	1
10	8	10	1
11	9	11	1
12	9	12	1
13	10	13	1
14	10	12	2
15	11	14	2
16	11	15	1
17	12	16	1
18	13	17	2
19	14	18	1
20	15	19	2
21	16	20	2
22	17	20	1
23	18	21	2
24	18	22	1
25	19	23	1
26	19	21	1
27	3	24	1
28	5	25	1
29	6	26	1
30	13	27	1
31	16	28	1
32	17	29	1
33	20	30	1
34	22	31	1
35	22	32	1
36	23	33	1
37	23	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1