
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
   -0.0507    2.8501    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4058    2.2016   -1.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5761    3.9402   -0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723    3.3029   -2.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114    1.6650   -0.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399    0.6131   -1.0510 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1487   -0.0458    0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4064   -0.5073   -0.1252 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3863    1.1103   -1.9916 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6571   -0.1794    1.2673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3144    4.3641   -1.7091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8977    3.3015    0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6573    2.5204    0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6850    1.3902   -2.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3410    2.6281   -1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5248    3.6248   -1.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7957    4.8120   -0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    2.9377   -3.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    3.7225   -3.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3235    1.1417    0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -0.2080   -1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7078   -0.6058   -1.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840   -1.0345    0.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0346    1.6356   -1.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  1  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  2  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  8  7  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9  6  1  0  0  0  0
  9 24  1  0  0  0  0
 10  7  2  0  0  0  0
 11  3  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <ID>
Z1312590981

>  <Barcode>
9990532002

>  <Well>
C06

>  <Plate_ID>
816280-05

>  <MW>
159.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H13NO3/c8-7(10)6(9)5-1-3-11-4-2-5/h5-6,9H,1-4H2,(H2,8,10)/t6-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
