
    alatis_output_mol

 31 31  0  0  1  0  0  0  0  0999 V2000
   -1.3115   -0.3052   -3.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7482    0.9002   -2.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6789   -0.2308    1.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364   -1.3399    2.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6045    0.2156    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0631   -0.8882    1.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8342    1.9811   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4402   -1.0049    2.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2595    0.8226   -0.9177 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2854   -0.1024    0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8959    0.2382    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7554   -1.5455    3.3282 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2045    0.8469   -0.8842 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555    0.4010   -0.0157 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4485    3.2374   -0.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3279   -0.3832    1.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2218   -0.4052   -3.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6551   -0.1987   -4.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7343   -1.2295   -2.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3712    1.8090   -2.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8435    0.9554   -2.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6960    0.0317    0.9496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9396   -1.9501    3.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8164    0.8201   -0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0618   -1.1751    2.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9285    1.9335   -0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4694    1.9454    0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6031   -0.1199   -0.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121    1.6922   -1.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    0.9000   -0.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9626    3.9203   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  9  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4 23  1  0  0  0  0
  5 10  2  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  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
  9 28  1  1  0  0  0
 10 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 13 29  1  0  0  0  0
 14 11  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 11  2  0  0  0  0
M  END
>  <ID>
Z1593306637

>  <Barcode>
9990529618

>  <Well>
B11

>  <Plate_ID>
816280-04

>  <MW>
242.71

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15ClN2O2/c1-2-9(7-15)13-11(16)14-10-5-3-8(12)4-6-10/h3-6,9,15H,2,7H2,1H3,(H2,13,14,16)/t9-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
