
    alatis_output_mol

 34 34  0  0  0  0  0  0  0  0999 V2000
    5.3392    0.9867   -1.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4992    2.4052   -0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3108   -2.5467    0.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5959    2.2407   -1.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3817   -0.0347    0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8734    1.3946   -1.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4111   -0.1247   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6799    1.1843    0.1596 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6312   -1.3174   -0.2320 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3332    1.4705   -2.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1734    2.1384   -1.3644 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7473    1.2274   -0.2888 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6960    1.0112   -3.3085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7189   -1.2826    0.2515 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9796    0.1048   -1.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2047    0.7993   -0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4105    1.0939   -1.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4712    2.4052    0.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6964    2.4147   -1.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9890    3.3357    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7771   -3.4557    0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -2.5157    1.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3481   -2.6246    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9573    3.1054   -1.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    2.4269   -2.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4110    0.0194    1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289   -0.0950   -0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4254    2.3443   -2.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3818    0.5877   -2.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112   -0.1406    0.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5412   -0.2126   -1.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6423    1.2115    1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124   -1.4247   -1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7911    2.3370   -0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 12  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  9  5  1  0  0  0  0
  9 33  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 11 34  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID>
Z355728146

>  <Barcode>
9990531698

>  <Well>
D03

>  <Plate_ID>
816280-06

>  <MW>
200.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H20N2O2/c1-4-11-10(13)6-12-5-9(3)14-7-8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)/t8-,9+/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	11
3	C	13
4	C	12
5	C	5
6	C	2
7	C	7
8	C	6
9	C	10
10	C	3
11	N	9
12	N	1
13	O	8
14	O	4
15	H	34
16	H	32
17	H	33
18	H	26
19	H	24
20	H	25
21	H	31
22	H	29
23	H	30
24	H	27
25	H	28
26	H	17
27	H	18
28	H	15
29	H	16
30	H	20
31	H	21
32	H	19
33	H	23
34	H	22


> <ALATIS_Mixture_Map>

$$$$
