
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.3186   -5.1115   -2.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7200    2.3625   -1.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4222   -5.3874   -1.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9339    1.9341   -0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4073   -5.0646   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8742   -3.6206    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0434   -1.3530    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1453   -2.7064   -0.0071 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341   -0.7207    0.2380 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696   -0.5060   -0.2158 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9992    0.5809    0.1441 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3065    0.6655   -0.1458 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   -3.3649    0.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5818   -4.0538   -2.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3126   -5.3750   -3.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377   -5.7027   -2.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2145    3.3201   -2.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3459    2.4799   -2.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1266    1.6229   -2.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3614   -4.8237   -1.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6965   -6.4488   -1.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5159    2.6749    0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0035    1.8356   -0.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1688   -5.2879    0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961   -5.7072   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1019   -2.9835   -0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  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 12  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  8  7  1  0  0  0  0
  8 26  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  2  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  2  0  0  0  0
M  END
>  <ID>
Z57475877

>  <Barcode>
9990529562

>  <Well>
F03

>  <Plate_ID>
816280-04

>  <MW>
183.21

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H13N5O/c1-3-5-6(13)8-7-9-11-12(4-2)10-7/h3-5H2,1-2H3,(H,8,10,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
