
    alatis_output_mol

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.0287    0.5646   -3.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1384    1.3035   -2.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.5915    1.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1426   -0.7939    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9295   -0.8089   -3.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    2.9241    1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7678    4.8216   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4171    3.6464    2.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5789    5.5343    1.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452    2.8559    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219    1.3433    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1353    0.6668   -1.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0523   -1.4296   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0385   -0.7429   -1.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360   -1.4713   -2.3664 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7222    3.3427   -0.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9745   -2.8038   -0.0320 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5131    5.0663    2.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0257    1.0494   -4.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2293    2.3833   -2.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    1.0886    2.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610   -1.3758    2.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8432   -1.4315   -4.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661    3.1541    0.7149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    1.8398    1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375    5.1946   -0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7551    5.0946   -0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4443    3.3977    2.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1849    3.3430    3.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5618    5.4061    1.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7502    6.6081    1.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6866    3.3051   -0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207    3.1822    1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9197   -3.0231   -0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4 13  1  0  0  0  0
  4 22  1  0  0  0  0
  5  1  1  0  0  0  0
  5 15  2  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 16  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  6  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9  7  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 14  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 17 34  1  0  0  0  0
 18  8  1  0  0  0  0
 18  9  1  0  0  0  0
M  END
>  <ID>
Z2856434798

>  <Barcode>
9990531964

>  <Well>
F05

>  <Plate_ID>
816280-05

>  <MW>
244.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H16N2O2/c17-13-4-3-11(10-16-6-8-18-9-7-16)12-2-1-5-15-14(12)13/h1-5,17H,6-10H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	14
3	C	8
4	C	9
5	C	15
6	C	12
7	C	13
8	C	17
9	C	16
10	C	5
11	C	2
12	C	3
13	C	7
14	C	1
15	N	6
16	N	4
17	O	11
18	O	10
19	H	34
20	H	28
21	H	21
22	H	22
23	H	29
24	H	24
25	H	25
26	H	26
27	H	27
28	H	32
29	H	33
30	H	30
31	H	31
32	H	19
33	H	20
34	H	23


> <ALATIS_Mixture_Map>

$$$$
