
    alatis_output_mol

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.8691    1.2618    2.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9078    2.7744    0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232   -2.6767   -3.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6218   -4.3088   -2.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -1.6741   -2.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061   -3.3006   -1.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386    2.8441    2.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5283   -3.9913   -3.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5435   -1.9863   -1.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511   -0.0543   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172    1.9069    1.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1736   -5.2405   -4.2666 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0899   -1.0008   -0.6942 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3095    0.8676    0.6146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9356    2.1053    2.8685 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1584   -0.0244   -0.3942 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3666    2.0244    3.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2555    0.6459    3.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6476    0.6089    2.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    2.2097    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3590    3.5997    1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3235    3.2007   -0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6203   -2.4163   -4.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3302   -5.3425   -2.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7553   -0.6452   -2.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5777   -3.5683   -0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4506    3.6116    2.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6367    3.3433    1.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6744   -1.2534   -0.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6301    0.6611    0.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297    2.7612    3.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  2  0  0  0  0
  4 24  1  0  0  0  0
  5  9  2  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 13 29  1  0  0  0  0
 14 10  1  0  0  0  0
 14 30  1  0  0  0  0
 15  7  1  0  0  0  0
 15 31  1  0  0  0  0
 16 10  2  0  0  0  0
M  END
>  <ID>
Z123970702

>  <Barcode>
9990529539

>  <Well>
H04

>  <Plate_ID>
816280-04

>  <MW>
242.71

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
