
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -7.6554   -0.1836   -0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6445   -0.5676   -1.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3470    0.5797    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900   -1.1042    0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3237   -0.1892   -1.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0263    0.9592    0.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274    0.1314    0.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6802   -1.1578    0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7743    1.2510    0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5713    0.9948   -0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9999    0.5758   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129    1.3176    0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4233    0.0177    0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2334    2.5534    0.7431 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7618   -0.1733    0.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6829   -0.4822   -1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8832   -1.1654   -2.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1351    0.8774    0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566   -2.0230    0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5411   -0.5000   -2.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8047    1.5521    1.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897    0.1601    0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1774   -2.1213    0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271    2.1818    0.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379    1.6098   -0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5174    1.5846    0.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7688    3.3363    0.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2323    2.5464    0.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 16  1  0  0  0  0
  2  5  2  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  2  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 12  1  0  0  0  0
  7 22  1  0  0  0  0
  8  4  1  0  0  0  0
  8 13  2  0  0  0  0
  8 23  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  9  2  0  0  0  0
 13  9  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
 15 13  1  0  0  0  0
M  END
>  <ID>
Z933326822

>  <Barcode>
0110705814

>  <Well>
D07

>  <Plate_ID>
816280-02

>  <MW>
199.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/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	8
5	C	12
6	C	11
7	C	10
8	C	9
9	C	1
10	C	6
11	C	7
12	C	4
13	C	3
14	N	5
15	O	2
16	H	28
17	H	26
18	H	27
19	H	21
20	H	25
21	H	24
22	H	23
23	H	22
24	H	16
25	H	19
26	H	20
27	H	17
28	H	18


> <ALATIS_Mixture_Map>

$$$$
