
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -1.2742    4.7680    0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7908    2.3978   -0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6647   -1.0640   -0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2004   -0.0824    0.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4087    4.0921   -1.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5914    3.6588    0.0612 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6084   -1.2298    0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6723    1.2007    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898   -2.7483    0.0646 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3157    0.1202   -0.4221 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5969    1.1300    0.5008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3508    2.3988    0.1514 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3024    5.3260   -1.5114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2575    5.0252    0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4117    4.4564    1.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6720    5.6826    0.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2744    2.8321    0.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0745    2.9926   -0.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2349    1.4050   -0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2334   -1.8951   -0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047   -0.0922    0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515    3.3335   -1.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768    4.2268   -1.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4063    3.5513    0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3813    5.5315   -2.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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 12  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 10  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  3  2  0  0  0  0
  7  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
>  <ID>
Z1546887028

>  <Barcode>
9990531711

>  <Well>
C09

>  <Plate_ID>
816280-06

>  <MW>
201.66

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H12ClN3O/c1-6(5-13)12(2)8-10-3-7(9)4-11-8/h3-4,6,13H,5H2,1-2H3/t6-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
