
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    2.3092   -1.0670    6.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378    0.7324    1.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.4122   -3.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0678   -1.6307   -3.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1537    0.0142    3.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0753    1.5180    1.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528   -0.2645    5.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8197   -1.1218   -2.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1409    0.8620    3.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0001    0.1887   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2418   -0.5355   -1.0284 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1909    1.0856    4.1747 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3139    0.7124    0.9495 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2054    0.3690   -0.3064 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749    0.3674    5.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7671   -2.0121    6.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655   -1.2937    5.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2331   -0.5296    7.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    1.7716    1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4038    0.3109    2.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6682    0.1732    0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6468   -0.5021   -4.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2886    0.5519   -3.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1385   -1.4859   -3.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2226   -2.5466   -3.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0494   -0.3274    3.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965    1.6988    1.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972    2.5025    1.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7154   -1.7029   -1.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5305   -1.0452   -0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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 13  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  3  1  0  0  0  0
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  5  2  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  9  6  1  0  0  0  0
 11 10  1  0  0  0  0
 11 30  1  0  0  0  0
 12  9  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15  7  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <ID>
Z369936976

>  <Barcode>
9990531693

>  <Well>
E03

>  <Plate_ID>
816280-06

>  <MW>
209.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
