@<TRIPOS>MOLECULE
71315605
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4586    -5.5694    -0.5078	O.3	1	noname	-0.1998
2	O2     0.4853    -7.3844     0.7003	O.2	1	noname	-0.2530
3	O3    -3.4135    -2.4797    -8.1349	O.3	1	noname	-0.2177
4	O4    -2.8606    -0.8660    -6.6643	O.2	1	noname	-0.2543
5	N1    -0.9017    -5.7397    -0.4258	N.3	1	noname	-0.0343
6	N2     0.8972    -0.1032    -5.2642	N.3	1	noname	-0.0754
7	C1    -0.4872    -4.7422    -1.4055	C.3	1	noname	0.0444
8	C2    -1.4348    -3.5451    -1.5876	C.3	1	noname	-0.0096
9	C3    -0.8428    -2.5671    -2.5316	C.2	1	noname	-0.0460
10	C4     0.8342    -4.3338    -0.7525	C.3	1	noname	0.0739
11	C5    -0.4111    -1.8273    -4.7577	C.2	1	noname	-0.0290
12	C6    -1.0657    -2.7532    -3.9260	C.2	1	noname	-0.0341
13	C7     0.4382    -0.8286    -4.2377	C.2	1	noname	-0.0875
14	C8    -0.4594    -1.6773    -6.1393	C.2	1	noname	-0.0280
15	C9     0.0082    -1.5375    -2.0033	C.2	1	noname	-0.0457
16	C10     0.7033    -0.6468    -2.8567	C.2	1	noname	-0.0422
17	C11     0.3728    -6.3524     0.0042	C.2	1	noname	0.0488
18	C12     0.3688    -0.5890    -6.4071	C.2	1	noname	-0.1034
19	C13    -1.2115    -2.4821    -7.0975	C.3	1	noname	0.0605
20	C14    -2.5371    -1.9004    -7.2871	C.2	1	noname	0.1371
21	H1    -0.3558    -5.2453    -2.3734	H	1	noname	0.0497
22	H2    -2.3906    -3.8945    -1.9783	H	1	noname	0.0333
23	H3    -1.5254    -3.0884    -0.6020	H	1	noname	0.0333
24	H4     0.6322    -3.8348     0.1953	H	1	noname	0.0590
25	H5     1.4317    -3.6631    -1.3700	H	1	noname	0.0590
26	H6    -1.6548    -3.5006    -4.2931	H	1	noname	0.0632
27	H7    -1.8002    -5.9509    -0.1273	H	1	noname	0.1338
28	H8     0.1138    -1.4461    -0.9929	H	1	noname	0.0626
29	H9     1.3422     0.0671    -2.5067	H	1	noname	0.0642
30	H10     1.5083     0.6472    -5.1978	H	1	noname	0.1522
31	H11     0.5503    -0.2121    -7.3373	H	1	noname	0.0792
32	H12    -1.3118    -3.4990    -6.7182	H	1	noname	0.0423
33	H13    -0.6830    -2.5002    -8.0506	H	1	noname	0.0423
34	H14    -4.3766    -2.4078    -7.9687	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	17	1
3	2	17	2
4	3	20	1
5	3	34	1
6	4	20	2
7	5	7	1
8	5	17	1
9	5	27	1
10	6	13	1
11	6	18	1
12	6	30	1
13	7	8	1
14	7	10	1
15	7	21	1
16	8	9	1
17	8	22	1
18	8	23	1
19	9	12	2
20	9	15	1
21	10	24	1
22	10	25	1
23	11	12	1
24	11	13	2
25	11	14	1
26	12	26	1
27	13	16	1
28	14	18	2
29	14	19	1
30	15	16	2
31	15	28	1
32	16	29	1
33	18	31	1
34	19	20	1
35	19	32	1
36	19	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1