
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
   -2.9028    5.8928   -1.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0580    1.2378   -1.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649    2.6313   -1.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8564    2.3763   -1.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700    3.7714   -1.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6980    1.3506   -1.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3204    3.6460   -1.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820    0.1254   -1.1690 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2234   -0.6970   -2.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2619   -0.7651   -0.0466 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4676   -0.2616   -3.5905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278   -2.0149   -2.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1943    4.6776   -1.7102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6905    6.6093   -1.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213    5.7426    0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9532    6.3286   -1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5096    0.2659   -1.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8914    2.7598   -0.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9047    2.2731   -1.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038    4.7424   -1.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237    0.4031   -0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860   -0.7373   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -0.2960    0.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1463   -2.0939   -1.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  6  2  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4  2  1  0  0  0  0
  4 19  1  0  0  0  0
  5  3  2  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  2  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
 10  8  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 12 24  1  0  0  0  0
 13  7  1  0  0  0  0
M  END
>  <ID>
Z56755722

>  <Barcode>
9990531947

>  <Well>
H12

>  <Plate_ID>
816280-05

>  <MW>
181.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H11NO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
