
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.8213   -5.2045    3.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0388    1.9542   -2.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0372    1.7813   -1.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7996   -4.0813    2.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2331   -3.0188    1.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7201    0.6479   -2.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8694   -2.9272    2.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552   -4.0517    2.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2348    1.0132   -0.6494 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0387   -1.9478    1.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362    0.1590    0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3373   -1.8897    1.8798 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4661   -0.9425    0.7543 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2844    0.5097    0.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480    0.2417   -1.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859   -5.4751    4.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8451   -6.0689    2.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8540   -4.9651    3.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4971    2.1407   -3.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6314    2.7904   -2.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8896    1.1897   -2.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    2.7289   -1.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1847   -4.9331    2.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8183   -3.0513    1.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7427    0.7428   -3.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2089   -0.1342   -3.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9287   -2.8218    2.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3151    1.7077   -0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4808   -1.0734    0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  6  2  1  0  0  0  0
  6 15  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  8  7  2  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  1  0  0  0  0
 13 29  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <ID>
Z71580604

>  <Barcode>
9990530735

>  <Well>
B07

>  <Plate_ID>
816280-06

>  <MW>
206.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H14N2O2/c1-8-4-5-10(12-7-8)13-11(14)9-3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,13,14)/t9-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
