
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
    1.5968    0.0559    1.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7788    1.5660   -3.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369    2.5183   -2.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9314    0.5326   -3.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5329   -0.0558   -0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0457    2.4397   -1.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6400    0.4526   -3.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8438   -1.3350    0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262    1.2007    0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7743    1.3227   -1.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3659   -0.0620    0.2447 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1831    1.4057   -2.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6215   -1.3669   -0.1460 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6849    1.1596   -0.2545 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2543   -2.5304    0.3839 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892    1.0038    2.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6684    0.0020    2.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2511   -0.7466    2.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7846    1.6274   -3.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9991    3.3223   -2.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2754   -0.2126   -4.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6980   -0.1042   -1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5254    0.0082    0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105    3.1826   -1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932   -0.3626   -3.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180   -1.4277    1.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3667   -2.2121   -0.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233    2.0820   -0.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7656    1.3591    1.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2777    2.2597   -2.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309    0.5281   -2.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3802   -0.1195   -0.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6598   -1.4801   -1.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1310   -2.5325    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  2  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  4  7  2  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  2  0  0  0  0
  6 24  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 14  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  1  0  0  0  0
 11 32  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 13 33  1  0  0  0  0
 15 13  1  0  0  0  0
 15 34  1  0  0  0  0
M  END
>  <ID>
Z2217052426

>  <Barcode>
9990531695

>  <Well>
E01

>  <Plate_ID>
816280-06

>  <MW>
205.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11-,13-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
