
    alatis_output_mol

 30 31  0  0  1  0  0  0  0  0999 V2000
    2.2826   -3.1051    2.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1816   -2.1126   -1.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9402   -2.7753   -1.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9569   -0.8088   -1.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2274    0.2893    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1944    0.4509    0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0705    1.2428   -0.1828 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6109   -1.1154    0.0612 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0218   -1.8338   -0.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -1.9944   -0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8144   -1.7896    1.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8142   -0.9106   -0.2127 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0944    1.5876   -1.5718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560   -3.0942   -0.7258 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0835   -1.6358    2.3954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9854   -2.4890    1.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6614   -0.6347   -0.7044 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5520   -2.3401    3.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4388   -3.7042    3.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1397   -3.7688    2.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1208   -2.5318   -1.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7178   -3.8145   -1.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5806    0.0731   -1.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0261    0.3821   -0.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6612    0.5071    1.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4260    0.4690    1.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0389    0.8190   -0.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1373    2.1734    0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0468   -1.7382   -0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2058    0.8067   -2.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  9  2  0  0  0  0
  3 22  1  0  0  0  0
  4  2  2  0  0  0  0
  4 17  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 12  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  1  1  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  6  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 13 30  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <ID>
Z1614545742

>  <Barcode>
9990529582

>  <Well>
E02

>  <Plate_ID>
816280-04

>  <MW>
239.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8+/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	14
3	C	10
4	C	13
5	C	7
6	C	6
7	C	11
8	C	3
9	C	4
10	C	2
11	C	5
12	N	1
13	O	16
14	O	9
15	O	12
16	O	15
17	O	8
18	H	30
19	H	29
20	H	28
21	H	26
22	H	23
23	H	25
24	H	21
25	H	22
26	H	19
27	H	20
28	H	24
29	H	18
30	H	27


> <ALATIS_Mixture_Map>

$$$$
