
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.6729   -2.0413    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897    2.7753    2.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2992    1.4264    2.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1688    3.1677    1.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5316    0.4790    2.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    2.7750   -0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8321   -1.1449    1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5572    2.2222    0.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4160    0.8651    1.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7461    2.0903   -1.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087   -0.1263    0.4415 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870   -1.3158    2.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3100    0.9910   -1.9367 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.7889   -2.4688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2582   -3.0514    0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7022   -1.7013   -0.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6971   -2.0502    0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6377    3.5223    3.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0389    1.1067    3.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0055    4.2346    1.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6938   -0.5752    2.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2850    3.8078   -0.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5510    2.8044    0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    0.0229   -0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8695    3.6342   -2.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  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  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10  6  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>
Z1444783243

>  <Barcode>
9990532004

>  <Well>
C04

>  <Plate_ID>
816280-05

>  <MW>
193.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-2-4-8(9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
