
    alatis_output_mol

 32 32  0  0  0  0  0  0  0  0999 V2000
   -6.1159    0.6625   -1.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6110   -1.3199   -2.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8760    2.0830    1.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4997   -0.6690   -0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596    0.3059    0.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7424   -1.2302   -0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9932   -1.4089   -0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9454   -0.8536   -1.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6384   -1.4412   -1.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3179   -0.2526   -0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    0.5309    0.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8323   -0.1363   -0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2757   -2.6666   -2.0851 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5494   -1.2811   -0.5391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4065    0.9135    0.0356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6196    1.5074    1.5689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9199    0.9749   -2.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3918    0.9970   -0.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2076    1.1858   -1.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6603   -0.9069   -3.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5576   -2.4128   -2.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3913   -0.9991   -3.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2373    2.6579    0.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7254    2.8029    2.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5825    1.3375    2.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758   -0.8089   -0.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6424    0.9148    1.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3630   -1.8357   -1.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2461   -0.9856    0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1717   -2.4895   -0.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9362   -1.2681   -1.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0525   -2.1592   -0.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 16  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4 26  1  0  0  0  0
  5 11  1  0  0  0  0
  5 27  1  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  7 14  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  7  1  0  0  0  0
  8 31  1  0  0  0  0
  9  4  1  0  0  0  0
  9  6  2  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 14 32  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <ID>
Z32386228

>  <Barcode>
9990529624

>  <Well>
A08

>  <Plate_ID>
816280-04

>  <MW>
241.72

>  <Well_volume_uL>
200

>  <Concentration_mM>

> <ALATIS_Standard_InChI>
InChI=1S/C12H16ClNO2/c1-8(2)7-14-12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	16
3	C	14
4	C	10
5	C	7
6	C	5
7	C	9
8	C	13
9	C	8
10	C	1
11	C	4
12	C	2
13	Cl	11
14	N	3
15	O	6
16	O	12
17	H	29
18	H	28
19	H	27
20	H	30
21	H	32
22	H	31
23	H	26
24	H	24
25	H	25
26	H	22
27	H	19
28	H	18
29	H	20
30	H	21
31	H	23
32	H	17


> <ALATIS_Mixture_Map>

$$$$
