
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -2.3847   -2.8215   -2.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5237   -4.2386   -0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5911   -0.5657   -0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1366    0.8566   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976    1.5115   -0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0388   -1.2968   -0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3808   -0.0201    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0144   -2.5767   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5748   -1.1442   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130   -0.5325   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2218   -0.6680   -0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2592    0.7243   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5839    1.0902   -0.0151 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9894   -2.8914   -1.0713 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3643   -1.2714   -0.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9957   -1.8221   -2.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5697   -3.5441   -2.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1415   -3.0252   -3.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7440   -5.0084   -0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0004   -4.3130    0.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2962   -4.4733   -1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6354   -0.0183    0.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7529    0.1023   -0.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4004   -1.3023   -0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0288    1.4730   -0.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8466    2.5936    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1073   -2.3786   -0.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4574    0.0690    0.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4839   -2.7241    0.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1536   -3.2546   -0.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9142    2.0437    0.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 14  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 15  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  1  0  0  0  0
  4 25  1  0  0  0  0
  5  4  2  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  0  0  0  0
  6 11  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  2  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13  7  1  0  0  0  0
 13 12  1  0  0  0  0
 13 31  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <ID>
Z2856434938

>  <Barcode>
9990531973

>  <Well>
E11

>  <Plate_ID>
816280-05

>  <MW>
204.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	14
3	C	15
4	C	11
5	C	8
6	C	7
7	C	4
8	C	6
9	C	1
10	C	10
11	C	2
12	C	5
13	N	3
14	N	9
15	O	12
16	H	23
17	H	25
18	H	24
19	H	27
20	H	26
21	H	28
22	H	30
23	H	31
24	H	29
25	H	22
26	H	21
27	H	20
28	H	17
29	H	18
30	H	19
31	H	16


> <ALATIS_Mixture_Map>

$$$$
