
    alatis_output_mol

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.3766   -4.2342   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -4.8172    0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0558   -2.8751   -0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904   -3.4606    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1896   -0.0051   -0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246    2.5183   -0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4179   -5.1980   -0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3495    1.0733   -0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7665   -2.4812   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170   -6.8667   -0.2945 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8845    0.6209    0.3342 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8362   -0.7024    0.3981 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4132   -1.1082    0.0600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0457    2.8143   -1.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3759   -4.5333   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6107   -5.5683    0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8307   -2.1563   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1987   -3.1876    0.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262   -0.0584   -0.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2637    3.1198    0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199    2.8362    0.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    2.5415   -2.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  2  0  0  0  0
  2 16  1  0  0  0  0
  3  9  2  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  2  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
>  <ID>
Z1374778753

>  <Barcode>
9990531982

>  <Well>
E02

>  <Plate_ID>
816280-05

>  <MW>
209.64

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H8ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
