
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -5.6788    0.5758   -2.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6988    0.6440   -3.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3177    0.6631   -0.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5027   -1.1230    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3076   -0.1013   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3588    0.7872   -2.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9746    0.8070   -0.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1108   -0.9707    0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190    1.0629   -0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2091    1.1127    0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9881    0.8594   -1.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5022    0.2184   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318    1.2250   -0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2851    1.3932    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0888    0.2685    0.0136 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8960    2.3925   -1.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7076    2.5490    0.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6433    0.9633   -1.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7229    0.4572   -2.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9740    0.5842   -4.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0841    0.6169   -0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9595   -2.0380    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3884   -0.2089   -0.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5962    0.8430   -3.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7383    0.8724    0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163   -1.7907    0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3366    1.8576   -1.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4008    0.2007    0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6860    1.9709    0.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -0.6154    0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0121    2.5943   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4 22  1  0  0  0  0
  5  9  2  0  0  0  0
  5 23  1  0  0  0  0
  6 11  2  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 13 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 30  1  0  0  0  0
 16 13  1  0  0  0  0
 16 31  1  0  0  0  0
 17 14  2  0  0  0  0
 18 10  1  0  0  0  0
M  END
>  <ID>
Z68195082

>  <Barcode>
9990532015

>  <Well>
B08

>  <Plate_ID>
816280-05

>  <MW>
243.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H13NO3/c16-13-9-5-4-8-12(13)15-14(17)10-18-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	16
3	C	17
4	C	14
5	C	15
6	C	13
7	C	12
8	C	10
9	C	11
10	C	7
11	C	9
12	C	3
13	C	4
14	C	2
15	N	1
16	O	8
17	O	5
18	O	6
19	H	31
20	H	29
21	H	30
22	H	27
23	H	28
24	H	26
25	H	25
26	H	23
27	H	24
28	H	20
29	H	21
30	H	19
31	H	22


> <ALATIS_Mixture_Map>

$$$$
