
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.9468    5.1328   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370    5.1327    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5134    1.2520    1.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651    0.1109   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0861    0.0130    1.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5214   -1.0792    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282    5.3875   -1.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    3.7681   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247    1.3189    0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    4.9257   -0.3621 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6004   -1.1547    0.8518 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3299    2.5020    0.0071 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.7203   -1.6081 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097    4.1418    0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6634    5.8699    0.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290    4.3626    1.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4746    6.0909    1.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9567    2.1328    1.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773    0.0897   -0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9725   -0.0708    1.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9119   -2.0290   -0.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3782    6.4560   -1.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2412    4.9932   -2.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0538    3.9834    0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1221    3.7007   -0.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9856    5.8483   -0.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    2.4143   -0.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  6 11  2  0  0  0  0
  6 21  1  0  0  0  0
  7  1  1  0  0  0  0
  7 13  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  1  0  0  0  0
 10 26  1  0  0  0  0
 12  9  1  0  0  0  0
 12 27  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <ID>
Z1267882044

>  <Barcode>
9990531688

>  <Well>
E08

>  <Plate_ID>
816280-06

>  <MW>
178.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O/c1-2-10(13-7-1)8-12-9-3-5-11-6-4-9/h3-6,10H,1-2,7-8H2,(H,11,12)/t10-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
