
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
    0.4618    3.5487   -1.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203    0.0559   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583   -1.2091   -0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7921    3.0857   -2.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5287    1.2943    0.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5940    0.1188    0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5847   -1.2359    0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3019    2.3116   -1.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817   -1.5015    1.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8323    2.7016   -2.7448 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1488   -2.6749    2.3069 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7746    1.2921   -0.2534 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647    2.2494   -1.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2219   -0.7451    2.6656 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101    4.0977   -0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0471    4.1999   -2.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202    0.0768    0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4597    0.0710   -1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4514   -2.0338    0.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173   -1.3750   -1.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0932    2.2035    0.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383    1.2898    1.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8607    0.1990    1.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5299    0.1164   -0.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099   -2.0794   -0.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0193   -3.4544    1.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3247   -2.8994    3.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  1  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  2  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  3  0  0  0  0
 11  9  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <ID>
Z57627041

>  <Barcode>
0110705872

>  <Well>
G08

>  <Plate_ID>
816280-01

>  <MW>
195.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
