
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.3900    5.5193    3.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8998    4.1559    3.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739   -0.2311   -0.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8325    1.1181    0.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0303   -1.2610    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4462    1.6723   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6602    2.1018   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3410   -0.6908    0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422    0.8071    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4547    3.8075    1.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9161    2.5881    1.2545 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4886   -1.3299    0.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4938   -0.3908    0.0498 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5825    0.6570    0.0203 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7433    4.5323    1.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7772    6.3099    2.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041    5.7373    4.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2963    5.5609    3.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9952    4.1474    3.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5257    3.3877    3.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0783   -0.6004   -0.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280   -0.0996   -1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6034    1.8370    0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9166    0.9897    1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2527   -1.5936    1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0835   -2.1423   -0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4373    2.0646   -1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1820    2.4769    0.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1039    2.8336   -0.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337    1.9564   -0.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4834    2.0078    1.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 10  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 14  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 14  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 11 31  1  0  0  0  0
 12  8  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z438067480

>  <Barcode>
0110706017

>  <Well>
C07

>  <Plate_ID>
816280-03

>  <MW>
208.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H16N4O/c1-2-10(15)11-7-9-13-12-8-5-3-4-6-14(8)9/h2-7H2,1H3,(H,11,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	12
3	C	15
4	C	13
5	C	11
6	C	10
7	C	7
8	C	5
9	C	2
10	C	6
11	N	8
12	N	4
13	N	3
14	N	1
15	O	9
16	H	27
17	H	28
18	H	29
19	H	23
20	H	24
21	H	30
22	H	31
23	H	25
24	H	26
25	H	21
26	H	22
27	H	19
28	H	20
29	H	16
30	H	17
31	H	18


> <ALATIS_Mixture_Map>

$$$$
