
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.5316    1.8361   -3.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2858    0.4662   -3.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4572    2.6158   -2.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9199   -1.6177    3.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630   -2.2067    2.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9617   -0.1236   -2.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    2.0275   -1.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4233   -0.4922    2.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9545   -1.6640    1.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.0135   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858    0.6511   -1.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7702    0.0302    1.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4579   -0.5318    1.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2251    1.2362    0.9254 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0424    0.0377   -0.0089 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7701    2.2979   -4.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3332   -0.1411   -4.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394    3.6857   -2.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489   -2.0308    4.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6496   -3.0903    3.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7508   -1.1901   -2.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580    2.6500   -0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3325   -0.0252    2.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8614   -2.1596    1.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8631   -1.0078   -0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8829    0.5686    0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8232    1.3618   -0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2343    1.3318    0.9339 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 16  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  3 18  1  0  0  0  0
  4  8  2  0  0  0  0
  4 19  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  2  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 11  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
  9 24  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 10  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 12  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
>  <ID>
Z336089202

>  <Barcode>
0110705220

>  <Well>
A09

>  <Plate_ID>
816280-01

>  <MW>
199.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H13NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
