
    alatis_output_mol

 28 28  0  0  0  0  0  0  0  0999 V2000
    0.1598   -5.5170   -1.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900   -5.3876    1.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719    2.5575   -0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9463    1.4949    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2638   -0.0133   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820   -4.8183    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950    1.1241   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3720   -1.1045   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7363   -2.5320   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3347   -3.3820    0.0443 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8933   -0.6668    0.0142 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816    0.6789    0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8970   -2.9186   -0.2433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6094   -5.0929   -1.8249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0541   -6.5847   -1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1225   -5.4214   -1.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -6.4583    1.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2746   -5.2522    0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3084   -4.8868    2.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9361    2.6701   -0.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824    3.0519    0.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3024    3.0718   -1.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7998    0.8548    0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1564    2.0863   -0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319    2.1484    1.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3329   -0.0710   -0.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7796   -5.0032    0.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2498   -2.9387    0.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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  6  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  7  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  8  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  0  0  0  0
  7  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 28  1  0  0  0  0
 11  8  2  0  0  0  0
 12  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <ID>
Z733898630

>  <Barcode>
0110706261

>  <Well>
G03

>  <Plate_ID>
816280-07

>  <MW>
181.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H15N3O/c1-6(2)10-9(13)8-5-7(3)12(4)11-8/h5-6H,1-4H3,(H,10,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
