
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
    2.5403    5.4015   -3.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5376    0.7028    1.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -3.0171    2.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682   -3.2633    1.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5390   -1.7303    2.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857   -2.2212    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.4826   -3.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4122    2.4179   -2.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    3.9228   -1.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9998    4.2443   -2.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204   -0.6582    1.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2447   -0.9235    0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9724    2.0605   -1.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376    2.8342   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0452    0.1237    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.9607   -0.7616 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6333    2.6391    0.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.1524    0.3346 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    5.0840   -4.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4444    5.8126   -3.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7934    6.1997   -3.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4501    0.7657    1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927    0.8783    2.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8669    1.5138    1.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4727   -3.8213    2.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6048   -4.2597    1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417   -1.5588    2.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7098   -2.4146    0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128    3.7117   -4.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4100    1.8472   -3.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429    4.5085   -1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5366    0.6720   -1.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6446    1.6695    0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 25  1  0  0  0  0
  4  6  2  0  0  0  0
  4 26  1  0  0  0  0
  5 11  1  0  0  0  0
  5 27  1  0  0  0  0
  6 12  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  8 13  1  0  0  0  0
  8 30  1  0  0  0  0
  9 14  1  0  0  0  0
  9 31  1  0  0  0  0
 10  9  2  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 13  2  0  0  0  0
 16 15  1  0  0  0  0
 16 32  1  0  0  0  0
 17 14  1  0  0  0  0
 17 33  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <ID>
Z33452282

>  <Barcode>
0110705895

>  <Well>
E09

>  <Plate_ID>
816280-01

>  <MW>
241.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C15H15NO2/c1-10-7-8-13(14(17)9-10)16-15(18)12-6-4-3-5-11(12)2/h3-9,17H,1-2H3,(H,16,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
