
    alatis_output_mol

 33 34  0  0  1  0  0  0  0  0999 V2000
   -1.5410    0.3927   -3.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0212    0.4264   -2.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0608   -0.7952    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6434    1.4634    0.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6472   -1.0666   -4.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766   -1.0664    1.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    1.1285    2.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2397   -1.2861   -0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9285   -1.0225   -1.7528 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6794    0.1476    0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -1.0086   -0.3563 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    0.2469    0.2738 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594    1.0470    0.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4891    0.1390    1.7713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3133   -1.7685   -2.8220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4917    0.7069   -3.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1133    1.0456   -4.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4379    1.1293   -1.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0641    0.7624   -2.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7198   -0.4054   -0.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6188   -1.7246   -0.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8790    2.2012    1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2799    1.9028    0.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6695   -1.3347   -4.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9639   -1.3526   -4.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6753   -1.7810    1.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2465   -1.4884    2.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0136    2.0236    2.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700    0.7568    2.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7529   -0.7355    0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3231   -2.3574   -0.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9521   -1.4104   -1.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7848   -1.6313   -0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 12  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  1  1  0  0  0  0
  5 15  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  3  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
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9  8  1  0  0  0  0
  9 32  1  1  0  0  0
 11 10  1  0  0  0  0
 11 33  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z2064898127

>  <Barcode>
0110706295

>  <Well>
D08

>  <Plate_ID>
816280-07

>  <MW>
214.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H18N2O3/c13-10(12-3-6-14-7-4-12)11-8-9-2-1-5-15-9/h9H,1-8H2,(H,11,13)/t9-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	14
3	C	9
4	C	10
5	C	13
6	C	12
7	C	11
8	C	7
9	C	8
10	C	1
11	N	3
12	N	2
13	O	4
14	O	6
15	O	5
16	H	32
17	H	33
18	H	30
19	H	31
20	H	20
21	H	21
22	H	22
23	H	23
24	H	28
25	H	29
26	H	26
27	H	27
28	H	24
29	H	25
30	H	17
31	H	18
32	H	19
33	H	16


> <ALATIS_Mixture_Map>

$$$$
