
    alatis_output_mol

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1844   -1.3285   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286    5.1366    1.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1095    4.7650    0.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4300    4.1710    0.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2059    3.4252    0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128    2.8321    0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024   -1.2107    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9315   -0.5447   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7897    2.4341    0.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3101   -0.0302    0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905    0.7440    0.1209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4465    1.0765    0.2747 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5252   -0.1086    0.3089 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -1.9506   -1.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3355   -1.9722    0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0429   -0.6601   -0.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765    6.1749    1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780    5.5136    0.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4630    4.4525    1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2458    3.1642    0.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295    2.1166    0.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6170   -1.7496   -0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537   -1.8596    0.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID>
Z50145861

>  <Barcode>
0110706032

>  <Well>
B09

>  <Plate_ID>
816280-03

>  <MW>
174.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
