
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.5012   -1.7026    0.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063    1.8979   -0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897    0.6831   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0979   -0.6939   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2721    1.2692   -0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343   -0.8852    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646    0.8040   -0.6254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0493   -1.4828    0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437    0.4993   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2093   -2.9431    0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6439    1.2429   -0.1470 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1351   -0.3261   -1.0165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1797   -3.3848    0.8933 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6658   -3.7268   -0.3604 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1697   -2.4575    1.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060   -2.2159   -0.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2169   -1.0828    1.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5883    1.7839    0.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4669    1.8169   -1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4572    2.8945   -0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823    1.2963   -0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0846   -1.1562   -0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3266    2.3477   -0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5259    2.2490   -0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3174   -3.2458   -0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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  7  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  8  2  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 11 24  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
>  <ID>
Z364368134

>  <Barcode>
0110705830

>  <Well>
C02

>  <Plate_ID>
816280-02

>  <MW>
193.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H11NO3/c1-6-8(10(13)14)4-3-5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
