
    alatis_output_mol

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.0196   -2.8679   -0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657   -4.2185   -0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2181   -3.4984    0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8202   -0.5600    0.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347    1.9131    0.7131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018    0.7991    0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7237   -2.5007    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261   -5.2128   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1343   -4.8509    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9217   -6.8595   -0.3561 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0803   -6.0232    0.5696 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953    1.0285    0.0612 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846   -0.1446   -0.1259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -1.1267    0.1210 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0284    1.8513    2.0495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7758   -2.1172   -0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3740   -4.4876   -0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298   -3.2553    0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031   -1.1278    0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0482    2.8836    0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935    1.8684    0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2498    1.9240    2.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  1  2  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  4 14  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  2  0  0  0  0
 14 13  1  0  0  0  0
 15  5  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <ID>
Z1891776064

>  <Barcode>
9990531945

>  <Well>
H10

>  <Plate_ID>
816280-05

>  <MW>
244.08

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H7Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
