
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -3.9003    1.1987   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5242    3.6750    0.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239   -0.6561   -0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    0.7280   -0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128   -1.3381   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074    1.4305    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4685   -0.6705    0.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2592   -1.4729   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4706    0.6695   -0.3178 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3142    2.7770    0.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104   -0.6407   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0348    0.7714    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126    1.4987    0.1641 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3216    3.2832    1.2859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2504    1.3613    0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0099    2.1042   -0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5851    0.4614   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4824    3.1910    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4912    4.3221   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4746    4.3120    1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3627   -1.2014   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3572    1.2792   -0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190   -2.4251   -0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2771    2.5131   -0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4401   -0.5001    1.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3706   -1.2581    0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4188   -1.8494   -1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -2.3405    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2606    0.4891   -1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  7  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
 10 13  1  0  0  0  0
 11  8  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <ID>
Z28870646

>  <Barcode>
0110706312

>  <Well>
B01

>  <Plate_ID>
816280-07

>  <MW>
189.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H15NO/c1-9-7-8-11-5-3-4-6-12(11)13(9)10(2)14/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
