
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.4491   -5.9715    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535    2.8226   -0.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4140    2.7194    0.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3032    1.4433   -1.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5112    1.2321    1.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2112   -4.8723    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8389    0.5127   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915   -3.5660    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9719   -2.7779   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884   -1.3051   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8127   -3.0381    0.2603 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3942   -0.8629   -0.1207 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0653   -3.5768   -0.0847 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5682   -4.8268   -0.0046 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279   -0.5501    0.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311   -6.5797   -0.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2591   -6.5441    0.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4888   -5.6371   -0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0576    3.6171   -1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7103    3.0455   -0.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1418    3.3170    1.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175    3.0986    1.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191    1.3538   -1.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7697    1.2576   -2.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885    1.0502    2.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    0.8981    1.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6686   -5.8045    0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9321    0.4696   -0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828   -1.6097   -0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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  7  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  6 27  1  0  0  0  0
  7 12  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 12 29  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z275151340

>  <Barcode>
0110770201

>  <Well>
F02

>  <Plate_ID>
816280-08

>  <MW>
227.70

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14ClN3O/c1-14-6-8(11)9(13-14)10(15)12-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
