
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.8276    5.1797   -5.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514    4.7081   -1.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0980    3.1079   -3.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8545    3.6786   -0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8049    2.0884   -2.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260    1.3708    0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7368    0.2671    0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0373    1.4148    2.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0347    0.3755    1.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9696    5.5710   -3.7394 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7425    4.4332   -2.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460    2.3414   -0.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2778    6.1880   -3.5242 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7703    1.3049   -0.0727 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8316    0.3241    2.6140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852    6.0666   -5.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8597    4.6999   -5.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6127    4.4888   -5.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8974    5.7303   -1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816    2.8378   -3.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3924    3.9498    0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0430    1.0618   -2.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0078    0.4588    0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0817    2.2113    0.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6782    0.3264   -0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2871   -0.7109    0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9365    1.3317    2.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4573    2.3594    2.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6687   -0.4592    2.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5672    1.3058    2.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046    6.3353   -3.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9959    5.4759   -3.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3393    6.4935   -2.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3 11  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  2  0  0  0  0
  4 21  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  6  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9  7  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11  2  2  0  0  0  0
 12 14  1  0  0  0  0
 13 10  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15  8  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z1259341012

>  <Barcode>
0110706033

>  <Well>
B10

>  <Plate_ID>
816280-03

>  <MW>
206.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H18N2O/c1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
