
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.5835    3.2709    0.7674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705    5.0934   -0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4704    4.0752   -0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2669    4.7802    0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0645    2.7434   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2423   -0.0491    0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722    3.4430    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4293   -1.1571    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7419    2.4107   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7942   -2.5522    0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577   -0.7496   -0.1629 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8664    0.5747   -0.2030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968    1.0308   -0.0113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9283   -2.9455    0.4315 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2591   -3.4012    0.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2932    3.6227    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7202    3.8648    1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8471    2.2532    1.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8793    6.1327   -0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4859    4.3140   -0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178    5.5964    0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952    1.9826   -0.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2988    0.0484    0.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0787   -2.8881   -0.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  8  6  2  0  0  0  0
  9 13  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
>  <ID>
Z2327226104

>  <Barcode>
0110705789

>  <Well>
F06

>  <Plate_ID>
816280-02

>  <MW>
203.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H9N3O2/c1-7-4-2-3-5-9(7)13-6-8(10(14)15)11-12-13/h2-6H,1H3,(H,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
