
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
   -2.3214   -2.4817    1.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2791   -2.5686   -1.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    0.0043   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4499   -2.3792    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7666    1.2529   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6142    1.2392    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4338    2.5029    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6836   -1.0739    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    2.6314   -0.0219 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935    2.3161    0.0278 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6576   -1.1582   -0.0049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3620    0.0883    0.0164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743    3.6355    0.0085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0864   -1.6981    1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312   -3.4508    1.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7144   -2.3891    2.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0487   -1.7958   -1.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7800   -3.5431   -1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -2.5294   -2.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270   -0.1135   -0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7197   -3.1985    0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1799    1.3796    0.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3997    3.1237    0.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  2  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  7  6  1  0  0  0  0
  8 12  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
M  END
>  <ID>
Z906021418

>  <Barcode>
0110705968

>  <Well>
G08

>  <Plate_ID>
816280-03

>  <MW>
199.64

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H10ClN3O/c1-4(2)8-11-3-5(9)6(12-8)7(10)13/h3-4H,1-2H3,(H2,10,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
