
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -5.5231   -0.5840   -0.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5227   -0.4678    0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -0.0598    1.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2887   -0.4572   -1.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8957   -0.5722   -1.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2398   -1.2190   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810   -1.4244    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0403   -0.8129   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2357   -0.9899   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690   -1.3405    0.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3035   -0.5962    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8642   -0.5606    0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1697   -0.9470   -0.6535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0854   -1.7608    1.4652 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3202   -0.1656    1.5185 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8973   -1.2818   -0.6590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7316    0.4765   -0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0031   -1.1826   -1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9842   -0.8426    0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5039   -0.2567    1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828    0.5359    2.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7926   -0.0535   -2.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3404   -0.2484   -2.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8522   -1.7563   -1.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717   -1.8253    1.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6943   -0.9180   -1.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4629   -2.0476    2.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3 11  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  6  2  2  0  0  0  0
  6 16  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  2  0  0  0  0
  7 25  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 26  1  0  0  0  0
 14 10  1  0  0  0  0
 14 27  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <ID>
Z1430613384

>  <Barcode>
9990529605

>  <Well>
C03

>  <Plate_ID>
816280-04

>  <MW>
217.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H11NO3/c1-8-4-5-9(7-10(8)14)13-12(15)11-3-2-6-16-11/h2-7,14H,1H3,(H,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
