
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -2.6740    9.1052   -0.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0495    8.5119   -0.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7048    5.0033    0.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8386    4.3522   -0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0846    6.3511    0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1994    5.7066   -0.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1620    2.5356    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1409   -0.1504    0.8948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8835   -0.3741    2.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5748    3.9864    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310    6.7513   -0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2136   -1.4169    1.2483 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214   -1.5570    2.0579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4729    1.9433    1.3775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6843    8.0953   -0.2901 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1807    0.5427    1.4396 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8223    9.9843    0.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7775    9.4279   -1.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6384    8.7841   -0.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1654    8.6907   -1.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2714    9.4495   -0.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8129    7.8017   -0.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7197    4.7678    0.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5584    3.5892   -0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3772    7.0906    0.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1881    5.9128   -0.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6652    1.9863   -0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857    2.4796   -0.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3796    0.2820    0.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7623   -0.1279    2.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9942    2.4599    2.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 15  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  2  0  0  0  0
  3 23  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  5  3  1  0  0  0  0
  5 25  1  0  0  0  0
  6  4  2  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 16  1  0  0  0  0
  8 29  1  0  0  0  0
  9 16  1  0  0  0  0
  9 30  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <ID>
Z57258487

>  <Barcode>
0110770216

>  <Well>
E08

>  <Plate_ID>
816280-08

>  <MW>
217.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	16
3	C	13
4	C	14
5	C	10
6	C	9
7	C	11
8	C	4
9	C	5
10	C	12
11	C	7
12	N	2
13	N	3
14	N	6
15	N	8
16	N	1
17	H	27
18	H	28
19	H	26
20	H	30
21	H	31
22	H	29
23	H	24
24	H	25
25	H	21
26	H	20
27	H	22
28	H	23
29	H	17
30	H	18
31	H	19


> <ALATIS_Mixture_Map>

$$$$
