
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.6644    2.2463   -1.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494   -4.6464    1.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -3.0686    2.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9419   -3.5885    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2853   -2.0223    1.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4745    0.0084    0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6496    1.2603    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7095   -1.2958   -0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4187   -0.0342   -0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359    2.2584   -1.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212   -4.3806    2.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900   -2.2519    1.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524   -5.6718    3.2768 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7404    1.1991   -0.2837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6575   -1.1945    0.3870 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5298    3.2293   -1.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    3.1581   -1.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645    1.4059   -1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586    2.2434   -2.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2531   -5.6688    1.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6427   -2.8465    3.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1968   -3.8354    0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5661   -1.0056    2.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5888    0.1135    1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4734   -0.0623   -0.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1873    2.1156   -0.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6014    1.4068    1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6734   -1.4569   -1.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2674   -2.1247    0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5313   -0.1359   -1.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4293    0.0333    0.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4 12  2  0  0  0  0
  4 22  1  0  0  0  0
  5 12  1  0  0  0  0
  5 23  1  0  0  0  0
  6 14  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  6  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9  7  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
 11  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13 11  1  0  0  0  0
 15  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  2  0  0  0  0
M  END
>  <ID>
Z275165822

>  <Barcode>
0110705813

>  <Well>
D06

>  <Plate_ID>
816280-02

>  <MW>
238.72

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
