
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -0.9302    3.7876   -5.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4109    1.7600   -3.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1139    3.3198   -1.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490    0.5846   -2.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2351    2.1389   -0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7361    4.0145   -3.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8498   -0.0041   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3038   -1.1830   -0.5851 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1652    3.0236   -2.8564 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3579    0.8877   -1.0146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1258    5.0784   -3.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060    0.1986    1.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975    4.6858   -5.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3665    2.9574   -5.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9946    3.6294   -5.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    1.8993   -3.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0915    1.5136   -4.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1873    3.5365   -1.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4218    4.2129   -1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289    0.3882   -2.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588   -0.3162   -2.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0838    2.3567    0.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    1.9898   -0.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8390   -1.1526   -1.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   -1.7491    0.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  8  7  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
M  END
>  <ID>
Z90122368

>  <Barcode>
0110705901

>  <Well>
E03

>  <Plate_ID>
816280-01

>  <MW>
171.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H13N3O2/c1-6(11)9-2-4-10(5-3-9)7(8)12/h2-5H2,1H3,(H2,8,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
