
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.1692    1.1137   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050    0.1967    0.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2773   -3.3342   -0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0141   -4.3157   -1.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1537    0.4218   -0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6028   -1.2052    0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6047   -1.6929   -1.6039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556   -1.9755   -0.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2798   -2.7370   -2.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3616   -2.4261   -3.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9734   -3.5162   -3.7836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0110   -4.0548   -2.0393 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8204   -1.0006   -0.0884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6787   -1.2834   -3.5294 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080    2.1287    0.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3264    1.1743   -1.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682    0.2588   -0.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3746    0.4673    1.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4990   -3.6453    0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8019   -5.3689   -1.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941    0.6644    0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9213    0.7576   -0.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1009   -1.7705   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7324   -1.7393    1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8951   -0.6790   -1.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6598   -4.4459   -3.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6853   -3.3851   -4.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  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
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4  3  2  0  0  0  0
  4 20  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12  4  1  0  0  0  0
 12  9  2  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <ID>
Z145119960

>  <Barcode>
0110705850

>  <Well>
A06

>  <Plate_ID>
816280-02

>  <MW>
191.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13N3O/c11-10(14)9-7-8(3-4-12-9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,11,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
