
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -1.3602   -3.2697   -0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1933   -2.4255   -0.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3278    4.7389   -1.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9720    4.4390   -1.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0022    4.2778   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7830    2.4809   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3086    0.3838    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0945    3.2734    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7593    0.0264   -0.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4578    1.0353    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243    3.6884   -0.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8699    3.4133   -0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4183    3.5508    0.4475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    2.6642    0.0312 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4633   -0.9201    0.8188 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1847   -1.1111   -0.3446 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2845    3.8782   -1.9021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3322   -4.2584   -0.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316   -3.4044    0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3157   -2.7983   -0.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7597   -2.9115   -0.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2356   -2.2874   -2.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8390    5.3217   -2.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4205    4.7969   -2.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0592    4.4875   -0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3623    3.0224    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3550    2.9096   -0.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7701    0.8098    1.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6908    2.6931    1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058    0.0355   -1.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6911    2.2992    0.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 16  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5  3  1  0  0  0  0
  5 13  2  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 15  2  0  0  0  0
  7 28  1  0  0  0  0
  8 11  2  0  0  0  0
  8 29  1  0  0  0  0
  9 16  1  0  0  0  0
  9 30  1  0  0  0  0
 10  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 14 31  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  2  0  0  0  0
M  END
>  <ID>
Z275181224

>  <Barcode>
0110706318

>  <Well>
B07

>  <Plate_ID>
816280-07

>  <MW>
230.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
