
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.8785    2.2749   -1.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279    2.9331   -1.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2526    3.3582   -2.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550    4.0171   -2.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8998   -2.3819    1.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3150   -1.3792    0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3384   -3.6870    0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956   -2.7146    0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5333    2.0297   -0.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2845    4.2079   -2.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.1652    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0705    0.8984   -0.2663 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1295   -1.2237    0.7345 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6940    5.2204   -3.3999 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501   -0.2257    0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646   -3.8159    0.9236 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740    1.6387   -0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820    2.7938   -1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3018    3.5179   -2.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200    4.6903   -2.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097   -2.3835    2.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9629   -2.3051    0.9664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995   -0.5633    0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4671   -1.3749    2.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8494   -4.5429    1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4890   -3.7410   -0.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8536   -2.8666    0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6851   -2.7310   -0.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9195    0.8668   -0.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    5.6715   -3.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
  2  9  2  0  0  0  0
  2 18  1  0  0  0  0
  3  1  2  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  4  2  1  0  0  0  0
  4 20  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  5  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  6  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
 10  4  2  0  0  0  0
 12 11  1  0  0  0  0
 12 29  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 14 30  1  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
 16  8  1  0  0  0  0
M  END
>  <ID>
Z274554872

>  <Barcode>
9990531960

>  <Well>
F01

>  <Plate_ID>
816280-05

>  <MW>
222.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H14N2O3/c14-10-3-1-9(2-4-10)12-11(15)13-5-7-16-8-6-13/h1-4,14H,5-8H2,(H,12,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
