@<TRIPOS>MOLECULE
71587014
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2819     0.3251    -0.7811	O.3	1	noname	-0.3869
2	O2    -0.8397    -2.3886     3.5013	O.2	1	noname	-0.2861
3	O3    -2.0833    -5.9716     0.2571	O.2	1	noname	-0.2840
4	N1    -0.0422     1.6840     1.2738	N.3	1	noname	-0.1419
5	N2    -1.0440    -3.4674     0.8571	N.2	1	noname	-0.2426
6	N3    -1.6274    -4.2047     1.6985	N.3	1	noname	0.0661
7	N4    -3.9741    -7.5999     4.4895	N.2	1	noname	-0.2352
8	C1     0.9089     0.6711    -0.6063	C.3	1	noname	0.0937
9	C2     0.7515     2.0092     0.1453	C.3	1	noname	0.0332
10	C3     0.2376    -0.2558     0.2631	C.2	1	noname	-0.0075
11	C4    -0.1876     0.3906     1.3657	C.2	1	noname	-0.0680
12	C5     0.0369    -1.5792     0.1114	C.2	1	noname	0.0310
13	C6    -0.6404    -0.2669     2.4492	C.2	1	noname	0.0481
14	C7    -1.3084     2.2916     1.1486	C.3	1	noname	-0.0083
15	C8    -0.5716    -2.2989     1.1166	C.2	1	noname	0.0709
16	C9    -0.6979    -1.7107     2.4607	C.2	1	noname	0.1058
17	C10    -2.1487    -5.4711     1.4006	C.2	1	noname	0.0569
18	C11    -2.7855    -6.1759     2.5450	C.2	1	noname	0.0103
19	C12    -3.3058    -7.4587     2.2136	C.2	1	noname	0.0195
20	C13    -2.8595    -5.5996     3.8593	C.2	1	noname	0.0195
21	C14    -3.9264    -8.1913     3.2480	C.2	1	noname	0.0130
22	C15    -3.4904    -6.3656     4.8729	C.2	1	noname	0.0130
23	H1     0.4118     0.7542    -1.5717	H	1	noname	0.0666
24	H2     0.2146     2.7186    -0.4843	H	1	noname	0.0465
25	H3     1.7441     2.3181     0.4732	H	1	noname	0.0465
26	H4     0.3256    -2.0332    -0.7197	H	1	noname	0.0651
27	H5    -0.9365     0.2427     3.2447	H	1	noname	0.0681
28	H6    -1.9188     2.0416     2.0164	H	1	noname	0.0398
29	H7    -1.7972     1.9296     0.2441	H	1	noname	0.0398
30	H8    -1.1880     3.3733     1.0885	H	1	noname	0.0398
31	H9     2.7318     1.0252    -1.2986	H	1	noname	0.2109
32	H10    -1.7208    -3.8753     2.6061	H	1	noname	0.1594
33	H11    -3.2332    -7.8331     1.2676	H	1	noname	0.0646
34	H12    -2.4736    -4.6760     4.0556	H	1	noname	0.0646
35	H13    -4.3215    -9.1170     3.0828	H	1	noname	0.0839
36	H14    -3.5813    -6.0239     5.8297	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	8	1
2	1	31	1
3	2	16	2
4	3	17	2
5	4	9	1
6	4	11	1
7	4	14	1
8	5	6	1
9	5	15	2
10	6	17	1
11	6	32	1
12	7	21	2
13	7	22	1
14	8	9	1
15	8	10	1
16	8	23	1
17	9	24	1
18	9	25	1
19	10	11	1
20	10	12	2
21	11	13	2
22	12	15	1
23	12	26	1
24	13	16	1
25	13	27	1
26	14	28	1
27	14	29	1
28	14	30	1
29	15	16	1
30	17	18	1
31	18	19	2
32	18	20	1
33	19	21	1
34	19	33	1
35	20	22	2
36	20	34	1
37	21	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1