
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.6607    1.7166    1.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878   -2.6395    2.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408    1.4268   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138    0.1146   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3627    1.1931   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799   -2.4628    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3680   -1.0202   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1794   -3.1498    1.1912 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.6688   -0.0297 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9002    0.6768   -0.0267 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5895    2.2931    1.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9337    2.2943    1.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8642    0.7900    1.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7782   -2.7181    2.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3956   -1.5991    2.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2728   -3.2346    3.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9530    2.3611   -0.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8729    0.8486   -0.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2935    0.1357    0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.2582    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8718   -2.5618    0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371   -2.9595   -0.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8243   -2.9498    1.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  8  6  1  0  0  0  0
  8 23  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <ID>
Z2856434888

>  <Barcode>
9990531946

>  <Well>
H11

>  <Plate_ID>
816280-05

>  <MW>
139.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6-8-2/h4-5,8H,3,6H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
