
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.3801   -1.5471   -1.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8606   -1.6418   -0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9587    2.1567    2.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5209   -0.8684    2.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6117    3.6238    2.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1547   -1.0469    3.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2295    2.5464    1.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0441    1.1252    3.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0018   -0.2621    0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    1.4413    1.9769 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4989   -1.1244   -0.7445 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1409    0.1560    1.2276 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    0.1574    0.1789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4825    3.7820    1.2945 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538    0.1969    4.1131 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3524   -1.0441   -1.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5334   -2.6266   -1.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9022   -1.3141   -2.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5734   -1.0902   -0.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031   -1.5810   -1.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8442   -2.6965   -0.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5176    1.8524    3.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6023    1.9675    1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120   -1.8469    1.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590   -0.5481    2.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2948    3.9513    3.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4416    4.2552    1.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1558   -1.4819    3.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403   -1.7297    4.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1640    2.7424    1.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    2.3591    0.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0512    0.7073    3.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1407    2.0307    3.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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 11  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  3  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  4  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 10  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
 10 12  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z1998104358

>  <Barcode>
0110706243

>  <Well>
H04

>  <Plate_ID>
816280-07

>  <MW>
214.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H18N2O3/c1-11(2)9(13)12-4-6-15-8-10(12)3-5-14-7-10/h3-8H2,1-2H3/t10-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
