
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.3687   -3.5790    0.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168   -2.7622   -1.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2795   -4.9817    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0663   -4.1779   -1.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1706   -0.4997   -1.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7044   -1.2717   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7093   -0.6629    1.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276    1.3458    0.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3227    0.7518   -0.8027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1665    0.5900    1.4444 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240   -2.5511   -0.3186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954   -1.2268    2.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495    2.4854    0.5908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2461   -5.1670   -0.9405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3400   -3.4554    1.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731   -3.4943    1.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1017   -2.0342   -2.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216   -2.6341   -0.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2779   -5.1578   -0.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4663   -5.7462    0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0800   -4.3119   -2.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8236   -4.3528   -2.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946   -0.8472   -2.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7053    1.3017   -1.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1869    1.0121    2.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  1  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  2  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9  5  1  0  0  0  0
  9  8  1  0  0  0  0
  9 24  1  0  0  0  0
 10  7  1  0  0  0  0
 10 25  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 14  4  1  0  0  0  0
M  END
>  <ID>
Z57282999

>  <Barcode>
0110705935

>  <Well>
B08

>  <Plate_ID>
816280-01

>  <MW>
197.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H11N3O3/c12-7-6(5-9-8(13)10-7)11-1-3-14-4-2-11/h5H,1-4H2,(H2,9,10,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
