
    alatis_output_mol

 36 37  0  0  1  0  0  0  0  0999 V2000
   -5.4417   -5.8030   -4.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0595   -2.6639   -1.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1207   -2.2082   -0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5077   -4.6226   -2.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4574   -3.2914   -4.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1001   -3.4615   -1.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0438   -2.1301   -3.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2278   -2.5478   -2.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7738   -0.9405   -1.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0163   -0.9598   -1.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1428   -4.5478   -3.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3004   -2.2054   -2.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -2.3284   -1.0731 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4479   -1.0899   -0.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284   -0.9880   -1.6692 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930   -1.2350    0.3443 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8844   -2.8200   -2.4222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5170   -6.3762   -4.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1719   -6.4180   -3.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8344   -5.5819   -5.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3425   -3.7072   -1.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9807   -2.0725   -1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2344   -2.8314    0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3511   -1.1784   -0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2975   -5.5899   -1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0004   -3.2063   -5.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5970   -3.5553   -0.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2858   -1.1646   -3.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2642   -1.5362   -3.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353   -3.2566   -3.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6339   -0.1720   -2.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5174   -0.5452   -0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0294   -0.5377   -0.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5806   -0.2685   -1.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1134   -3.0569   -0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4157   -1.1396   -2.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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
  2 22  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 27  1  0  0  0  0
  7 12  2  0  0  0  0
  7 28  1  0  0  0  0
  8  2  1  0  0  0  0
  8 17  1  0  0  0  0
  8 29  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
  9 32  1  0  0  0  0
 10 15  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 13 35  1  1  0  0  0
 15 14  1  0  0  0  0
 15 36  1  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <ID>
Z2064898339

>  <Barcode>
9990531823

>  <Well>
A11

>  <Plate_ID>
816280-05

>  <MW>
233.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)9-14(16)15-10-13-3-2-8-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)/t13-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	17
3	C	16
4	C	12
5	C	13
6	C	10
7	C	11
8	C	14
9	C	5
10	C	7
11	C	9
12	C	6
13	C	8
14	C	1
15	N	2
16	O	3
17	O	4
18	H	32
19	H	31
20	H	30
21	H	35
22	H	36
23	H	33
24	H	34
25	H	26
26	H	27
27	H	24
28	H	25
29	H	28
30	H	29
31	H	19
32	H	20
33	H	21
34	H	22
35	H	23
36	H	18


> <ALATIS_Mixture_Map>

$$$$
