
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.2035   -2.8020   -2.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0888   -0.3750    0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5230   -3.2857   -2.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2440   -2.4058   -3.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1799   -3.0347   -1.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176   -1.2749   -3.5866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0687   -1.6533   -2.1512 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5242   -1.8978   -2.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -1.0225   -3.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924    0.4145   -3.9965 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8505   -1.5810   -0.6868 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300   -0.3367    1.4574 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0304    0.9473   -0.6883 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3208   -0.1977    0.1419 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8594   -2.5430   -2.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369   -3.0186   -3.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3400   -3.7263   -2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755   -0.1474   -0.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    0.3437    1.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3150   -1.3878    0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0076   -4.1673   -1.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2910   -2.5950   -3.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399   -3.7283   -1.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1920   -0.5857   -4.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.7408   -2.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0972   -1.8219   -0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 14  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <ID>
Z133729708

>  <Barcode>
9990531965

>  <Well>
F06

>  <Plate_ID>
816280-05

>  <MW>
233.72

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
