
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.7964   -3.2504    1.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388   -5.0855    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6665    1.6960   -1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9559   -3.5848    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8596    0.6304   -0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264   -2.7085   -0.0352 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0459   -1.2560   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1474   -3.0882   -1.2033 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7589   -0.6229   -1.0142 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2059    0.8012    0.6884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3394   -0.4628    0.9343 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309   -3.4332    2.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1216   -2.2050    1.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7013   -3.8664    1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0111   -5.3503    0.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1219   -5.3963   -0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617   -5.6728    0.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    1.2953   -1.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3399    2.1475   -0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0222    2.4782   -1.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5794   -3.3856   -0.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9318   -2.8840    0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -2.8712   -2.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9675   -2.4832   -1.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  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 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  8  6  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9  7  2  0  0  0  0
 10  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <ID>
Z1267773566

>  <Barcode>
9990531689

>  <Well>
E07

>  <Plate_ID>
816280-06

>  <MW>
155.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H13N3O/c1-4(2)6(8)7-9-5(3)10-11-7/h4,6H,8H2,1-3H3/t6-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
