
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.3898    2.8323    0.0876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6196   -5.2599   -0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6474   -0.2915    0.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5966   -1.2801    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207    0.5314    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2096   -0.8535    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5159    0.9561   -0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1818    1.3413    0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1282   -3.8432   -0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066   -0.6891   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575   -1.4896   -0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0901    0.7366   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233    1.5775   -0.1066 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -2.9074   -0.1655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9688   -3.6505   -1.1230 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9681    3.1547   -0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9356    3.1045    0.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4575    3.4042    0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867   -5.8868   -1.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3001   -5.6342    0.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7075   -5.3239   -0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4987   -0.0576    1.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6463   -0.7278    0.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067   -2.1291    0.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8883   -1.6025   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3089    0.9841    0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299   -1.4330    0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6232    0.7239   -1.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3081    1.6690   -0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2340    2.2202    0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9710   -3.2755   -0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  9  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  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  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 13  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 13 30  1  0  0  0  0
 14 11  1  0  0  0  0
 14 31  1  0  0  0  0
 15  9  2  0  0  0  0
M  END
>  <ID>
Z1650168321

>  <Barcode>
9990532003

>  <Well>
C05

>  <Plate_ID>
816280-05

>  <MW>
204.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H16N2O/c1-8-5-6-11(14-9(2)15)10-4-3-7-13-12(8)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
