
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
   -5.2009    0.8672   -0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    3.5699   -0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4113   -2.7994   -0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5808   -1.1580    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    1.2618   -0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7297    1.1693   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3014    0.0365   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5129    0.0716   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347    1.2612   -0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8221   -1.1505   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297   -0.0473   -0.0350 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9282    0.1122   -0.0858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3465    2.2603   -0.8955 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922    2.4051   -0.0920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3797   -2.3887    0.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6647    1.5268    0.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3975   -0.1708   -0.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6428    1.0473   -1.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5685    4.3357   -0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0088    3.9677    0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033    3.3705   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3910   -2.2804   -1.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2916   -3.8722   -0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3817   -2.6763   -0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1126   -2.1044    0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2816    2.2135   -0.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3890   -0.7440    0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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 14  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 15  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  2  0  0  0  0
  4 25  1  0  0  0  0
  5  8  2  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  7  4  1  0  0  0  0
  7  9  2  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 12 27  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <ID>
Z26968795

>  <Barcode>
0110705889

>  <Well>
F10

>  <Plate_ID>
816280-01

>  <MW>
229.67

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H12ClNO3/c1-6(13)12-8-5-9(14-2)7(11)4-10(8)15-3/h4-5H,1-3H3,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
