
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -1.1672    0.6314    0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6901   -1.3295   -0.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094   -3.5166   -0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0881   -0.7350    0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0398    1.2768    0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6449   -0.6212    0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4692   -2.7704    0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6258   -2.9808    0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723   -2.8087   -0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153   -0.7052    0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0731   -1.4120    0.3178 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212    0.6386    0.2652 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035   -1.3845    0.0364 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9107   -2.3801    0.8260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070    1.1593    0.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6416   -0.7885   -0.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3613   -1.2839   -1.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1324   -3.5915   -1.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6174   -4.5427    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9802   -1.3523    0.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1014    2.3610    0.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9910   -0.5287    1.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5333    0.3945   -0.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5177   -3.3027    0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7326   -2.8089    1.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000   -2.5208    1.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7673   -4.0440    1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4837   -3.2721   -1.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3720   -2.5381    1.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  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 11  1  0  0  0  0
  4 20  1  0  0  0  0
  5 12  2  0  0  0  0
  5 21  1  0  0  0  0
  6 13  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 13  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9  2  1  0  0  0  0
  9 28  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
>  <ID>
Z645232558

>  <Barcode>
0110706323

>  <Well>
B12

>  <Plate_ID>
816280-07

>  <MW>
193.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15N3O/c14-8-9-2-6-13(7-3-9)10-11-4-1-5-12-10/h1,4-5,9,14H,2-3,6-8H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	10
2	C	7
3	C	8
4	C	11
5	C	12
6	C	5
7	C	6
8	C	14
9	C	9
10	C	1
11	N	4
12	N	3
13	N	2
14	O	13
15	H	24
16	H	19
17	H	20
18	H	21
19	H	22
20	H	25
21	H	26
22	H	15
23	H	16
24	H	17
25	H	18
26	H	28
27	H	29
28	H	23
29	H	27


> <ALATIS_Mixture_Map>

$$$$
