
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.4049   -4.4812   -0.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2656   -3.4953    0.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592   -3.7663   -1.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6258    4.0912    2.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0144   -2.5467   -0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1567   -2.7707   -2.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450    4.1298    1.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2608    2.9927    3.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2258    2.5161    0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0688   -1.7948   -1.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8971    3.0499    1.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7638    0.4565   -0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1281    1.1900    0.0742 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830   -0.7974   -0.9349 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8382    0.8880   -1.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160    2.3509    2.4656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1598   -5.1122    0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0533   -5.1495   -1.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338   -2.9197    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847   -4.0462    0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0859   -4.5078   -2.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3238   -3.2456   -0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4286    4.7772    2.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091   -1.8429   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7228   -3.1329   -1.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7666   -3.3356   -3.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5878   -2.2180   -2.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7312    4.8536    0.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6255    2.5539    3.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1398    2.4564    1.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4280    3.1455   -0.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6789   -1.2558   -2.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7601    0.6798    0.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5449   -1.0963   -0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  2  0  0  0  0
  7 28  1  0  0  0  0
  8  4  2  0  0  0  0
  8 16  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 11  9  1  0  0  0  0
 13 12  1  0  0  0  0
 13 33  1  0  0  0  0
 14 12  1  0  0  0  0
 14 34  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <ID>
Z44584192

>  <Barcode>
0110770248

>  <Well>
B01

>  <Plate_ID>
816280-08

>  <MW>
222.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H18N2O2/c15-12(13-9-11-7-4-8-16-11)14-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H2,13,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
