
    alatis_output_mol

 32 32  0  0  0  0  0  0  0  0999 V2000
    1.9016    0.3841   -2.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    2.2772    4.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2025    1.6780    4.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9723    2.2866    3.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5149    1.0884    3.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6633    1.6892    2.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797   -2.0037   -2.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0075   -1.1956   -3.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4239    1.0769    2.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9536    0.0426    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0546   -0.7877   -2.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0663    0.4656    1.0202 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3124   -0.3710   -1.0872 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2434   -3.1094   -1.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9108   -0.1239   -3.6272 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1693   -0.0094    0.1788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3831    0.1180   -3.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6967    0.6684   -2.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2937    1.2800   -3.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2842    2.7372    5.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9282    1.6660    5.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9424    2.7564    3.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    0.6212    3.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    1.7323    1.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.7747   -1.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560   -2.3356   -2.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5907   -2.0486   -3.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4855   -1.4734   -4.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8758    0.1128    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5807    0.0692   -1.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591   -2.8341   -0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344    0.5577   -4.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5  9  2  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 10  1  0  0  0  0
 12 29  1  0  0  0  0
 13 10  1  0  0  0  0
 13 30  1  0  0  0  0
 14  7  1  0  0  0  0
 14 31  1  0  0  0  0
 15  8  1  0  0  0  0
 15 32  1  0  0  0  0
 16 10  2  0  0  0  0
M  END
>  <ID>
Z57472297

>  <Barcode>
0110706258

>  <Well>
G06

>  <Plate_ID>
816280-07

>  <MW>
224.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H16N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H2,12,13,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	11
2	C	16
3	C	14
4	C	15
5	C	13
6	C	12
7	C	7
8	C	8
9	C	6
10	C	1
11	C	4
12	N	3
13	N	2
14	O	9
15	O	10
16	O	5
17	H	27
18	H	25
19	H	26
20	H	32
21	H	30
22	H	31
23	H	29
24	H	28
25	H	19
26	H	20
27	H	21
28	H	22
29	H	18
30	H	17
31	H	23
32	H	24


> <ALATIS_Mixture_Map>

$$$$
