
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.7167    0.2589    0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1973    0.2539    0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2578    1.3208   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2061    2.4988   -1.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4116    0.1586   -0.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0818    2.1911   -2.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635   -0.1231   -2.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    0.2498    0.8834 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7339    1.3985   -0.1544 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514    0.9737   -2.8840 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0237   -0.7450    0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0945    0.4231    1.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8548    1.1492   -1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    2.2936    0.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2658    2.6682   -0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6887    3.4342   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0913   -0.7088   -0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4807    0.2758   -0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5470    2.9963   -3.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0343    2.1272   -2.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8520   -1.0064   -2.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2212   -0.3297   -2.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  3  0  0  0  0
  3  1  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  4  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  5  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <ID>
Z2856434767

>  <Barcode>
0110769258

>  <Well>
B09

>  <Plate_ID>
816280-08

>  <MW>
140.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H12N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3-7H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
