
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -4.6902    6.4089   -2.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1838    6.7782   -0.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2433    5.0106   -2.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5789    5.7220    0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5985    3.9561   -1.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5610    4.1457    0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6799    4.3544    4.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2292    2.9045    4.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0898    4.3108    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0259    4.4808    1.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341    4.1514    5.4915 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6130    3.2311    5.8092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    3.4164    2.3615 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6786    3.5984    3.6656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6811    5.6232    1.7801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3355    7.1451   -2.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7863    6.4561   -2.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944    6.8964   -0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5987    7.7490   -0.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7158    4.7489   -3.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1618    5.0108   -2.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2154    6.0150    1.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6740    5.7032    0.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6912    3.8559   -1.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2079    2.9805   -1.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2837    3.1136   -0.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0319    4.7810   -0.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    5.0200    3.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335    2.1906    4.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5412    3.6049    0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2526    2.4802    2.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  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 14  1  0  0  0  0
  7 28  1  0  0  0  0
  8 14  1  0  0  0  0
  8 29  1  0  0  0  0
  9  6  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z57261895

>  <Barcode>
9990529610

>  <Well>
B03

>  <Plate_ID>
816280-04

>  <MW>
208.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
