
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.2479   -4.9532    0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9547    2.1425   -1.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9117   -3.6029   -1.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621   -2.3728   -1.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5964   -2.4755    0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7739    1.4168    0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0370   -3.6550   -0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3133   -1.2958   -0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2927   -0.0194    0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6620    1.8824   -0.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975   -1.2123   -1.3496 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591   -0.0972   -0.0628 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786   -0.9666    0.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8260   -4.7993    1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8206   -5.6123   -0.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6872   -5.4482    0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    2.5604   -2.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1562    2.8773   -1.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291    1.2302   -2.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893   -4.4989   -1.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -2.2901   -2.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2920   -2.4806    1.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344    2.1028    0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3388    1.4063    1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    1.1694   -0.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    0.7040   -0.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  5  2  0  0  0  0
  8 12  1  0  0  0  0
  9 12  1  0  0  0  0
 10  6  1  0  0  0  0
 10 25  1  0  0  0  0
 11  8  2  0  0  0  0
 12 26  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <ID>
Z927746322

>  <Barcode>
9990531950

>  <Well>
G10

>  <Plate_ID>
816280-05

>  <MW>
179.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H13N3O/c1-7-3-4-11-8(5-7)12-9(13)6-10-2/h3-5,10H,6H2,1-2H3,(H,11,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
