
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -1.4399    1.8382    1.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5248    2.6125   -1.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293    3.4204   -1.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709   -0.2710   -1.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5353    3.4133   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837    4.7663   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    1.8080   -2.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9950    3.3653   -0.1974 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2431    0.1449   -0.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9191    1.5071   -0.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106   -1.0655    0.1760 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5476    0.5357   -2.8752 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3766    2.3252   -1.8160 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0821    2.0677    0.1395 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    4.7771   -1.5151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9051    2.7287    1.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304    1.6187    2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1485    1.0240    1.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7841    1.5736   -1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7892    2.6049   -2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9455    3.3281   -2.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233    3.1399   -1.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3707   -1.3115   -2.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8326    4.1039    0.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9142    3.8729   -1.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8322    5.5565   -0.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2176    5.0095    0.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4784    2.4846   -3.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3840    2.9120    0.7235 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  8  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  2  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  5 14  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 13  2  0  0  0  0
  7 28  1  0  0  0  0
  8  5  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
 11  9  1  0  0  0  0
 12  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  1  0  0  0  0
 15  3  1  0  0  0  0
 15  6  1  0  0  0  0
M  END
>  <ID>
Z1787627869

>  <Barcode>
9990531729

>  <Well>
B10

>  <Plate_ID>
816280-06

>  <MW>
227.70

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
