
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -5.5953   -4.6117    0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5482   -5.2945   -1.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8932   -5.9847   -1.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728   -4.3319    1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496   -3.3256    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -4.1825    0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1713   -4.3509    0.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556   -4.5521    0.0266 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9843   -4.0548    0.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5860   -3.8966    0.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2438   -3.6406   -0.0862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7854   -4.0964   -0.6789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1536   -3.9708    2.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7932   -5.0657   -0.6480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4120   -3.9107   -0.6196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2203   -3.7581    0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9518   -5.4960    0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7352   -4.7908    1.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7188   -6.0004   -1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5049   -4.5901   -2.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2564   -6.2376   -2.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8688   -6.8966   -0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0611   -4.4931    2.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -2.8081    1.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079   -2.6172   -0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2449   -3.1565   -0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3638   -4.2998    1.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2777   -5.2537    0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1702   -3.5983   -1.0102 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  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  2  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  2  0  0  0  0
  4 23  1  0  0  0  0
  5 11  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
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  8 28  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 29  1  0  0  0  0
 12  7  2  0  0  0  0
 12 15  1  0  0  0  0
 13 10  2  0  0  0  0
 14  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z384361454

>  <Barcode>
0110705883

>  <Well>
F04

>  <Plate_ID>
816280-01

>  <MW>
210.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O3/c1-7-4-9(15-12-7)10(13)11-5-8-2-3-14-6-8/h4,8H,2-3,5-6H2,1H3,(H,11,13)/t8-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
