
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.4340    1.8040   -0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0111    0.1486   -1.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5032   -1.2425   -1.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8779    1.0221   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6903   -1.8688   -0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1013    0.2953    0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0117   -0.2578    0.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844   -1.2786    0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0999   -0.6573    0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859   -1.3716   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4518   -2.9313    0.8101 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809    0.9443    0.6989 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7567    0.6788    0.2166 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6026   -0.9698    0.0686 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1283   -2.4377   -0.8111 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147    1.4507   -1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9424    2.3601    0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935    2.4617   -0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4664    0.6320   -1.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7950    0.0473   -0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8755   -1.1596   -2.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3503   -1.8893   -1.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2888    1.9649   -0.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2126    1.2692   -1.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3265   -2.8545   -0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3280   -2.0357    0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7802    0.0726    1.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3068    0.9023    1.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -0.3411    1.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 14  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z275179946

>  <Barcode>
0110770206

>  <Well>
F07

>  <Plate_ID>
816280-08

>  <MW>
227.70

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14ClN3O/c1-13-9(8(11)7-12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
