
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.3353   -1.3442    1.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6435    0.1481    1.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4741    3.1631   -3.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8216    3.1833   -4.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0363    2.3298   -2.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2846    1.5258   -2.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1131    2.3563   -3.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3952   -0.7024    0.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7294    2.3561   -3.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9419    1.5224   -2.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    0.1057   -0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2317    2.3624   -4.2847 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4455    0.7428   -1.0962 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363    0.1403   -0.0711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9534   -0.5883    2.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -1.8853    2.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0131   -2.0556    1.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1870    1.0389    2.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4364    0.4809    0.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1243   -0.4254    2.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2323    3.8052   -4.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1596    3.8421   -5.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0191    2.3473   -2.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107    0.8773   -2.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140   -1.5059    0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5582    0.7439   -0.9727 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
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4  3  1  0  0  0  0
  4  9  2  0  0  0  0
  4 22  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  2  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
  9  6  1  0  0  0  0
 10 13  1  0  0  0  0
 12  7  3  0  0  0  0
 13 11  1  0  0  0  0
 13 26  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <ID>
Z26548083

>  <Barcode>
0110705925

>  <Well>
C03

>  <Plate_ID>
816280-01

>  <MW>
188.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H12N2O/c1-8(2)11(14)13-10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
