
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -5.1055    3.2322    7.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3850    3.9161    6.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9993    2.3886    8.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5612    3.7517    5.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1737    2.2254    6.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978   -0.6084    1.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2905    1.6555    1.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2324   -0.1863    2.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4607    2.0766    2.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417    2.7621    4.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531    2.8926    5.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    0.3107    1.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2312    1.1572    3.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0407   -0.1722   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2068    0.4764   -0.3130 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6678   -1.1339   -0.6803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9815    1.4472    4.4685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7478    3.3583    8.8351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2442    4.5797    6.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7762    1.8575    8.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7924    4.3002    4.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3098    1.5679    6.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5242   -1.6539    1.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8640    2.3899    0.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8221   -0.9070    3.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131    3.1225    2.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1187    2.9411    3.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7544    3.5172    4.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6699    1.0726    0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753    0.0593   -1.0387 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 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4 11  2  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 22  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  7 12  2  0  0  0  0
  7 24  1  0  0  0  0
  8  6  2  0  0  0  0
  8 25  1  0  0  0  0
  9  7  1  0  0  0  0
  9 26  1  0  0  0  0
 10 17  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 10  1  0  0  0  0
 12 14  1  0  0  0  0
 13  8  1  0  0  0  0
 13  9  2  0  0  0  0
 15 14  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <ID>
Z26312102

>  <Barcode>
0110705998

>  <Well>
E02

>  <Plate_ID>
816280-03

>  <MW>
227.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H13NO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
