
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -0.4788   -1.4968    0.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3921    4.1545    4.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966    2.7123    4.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5789    4.0096    2.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0806    1.7336    1.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1542   -0.0259    0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    2.5506    2.5638 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2661    4.8370    3.5691 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6678    0.3520    1.5439 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5740    0.7517   -0.3399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    1.9455    3.8730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410   -2.0267    1.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0782   -1.9315   -0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5633   -1.6278    0.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5886    4.1526    5.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750    4.7231    5.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9120    2.6896    4.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9251    2.2233    5.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6010    4.0218    3.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6171    4.4779    1.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0492    1.6883    2.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2240    2.1960    0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112    2.5228    2.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1938    4.9123    3.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801   -0.2671    2.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  7  5  1  0  0  0  0
  7 23  1  0  0  0  0
  8  4  1  0  0  0  0
  8 24  1  0  0  0  0
  9  6  1  0  0  0  0
  9 25  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <ID>
Z1269638430

>  <Barcode>
9990531974

>  <Well>
E10

>  <Plate_ID>
816280-05

>  <MW>
158.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H14N2O2/c1-6(10)9-5-7-4-8-2-3-11-7/h7-8H,2-5H2,1H3,(H,9,10)/t7-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
