
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
   -1.6527   -1.7859    2.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1262   -0.8076   -2.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6571   -1.8536   -1.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6676    0.6012   -2.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0621   -1.4659   -0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243    0.9572   -0.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4815   -0.9012    1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0562   -0.8092    1.1932 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5137   -0.0850    0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0372   -0.0350    0.1250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590   -1.1277   -0.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3746   -2.8172    1.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3123   -1.5676    3.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7463   -1.7428    2.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7550   -1.0655   -3.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2218   -0.8272   -2.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5695   -1.9684   -1.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0938   -2.8268   -1.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1316    1.3252   -3.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838    0.6829   -2.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7470   -2.2444    0.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1571   -1.4419   -0.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172    1.0266   -0.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356    1.9546   -0.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -0.6203    2.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7474   -1.9427    0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3767    0.2109    1.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9085    0.1855    1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7476    0.9295    0.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8839   -0.7844   -0.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  7  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11  8  1  0  0  0  0
 11 30  1  0  0  0  0
M  END
>  <ID>
Z90526999

>  <Barcode>
0110705218

>  <Well>
H10

>  <Plate_ID>
816280-03

>  <MW>
157.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H19NO/c1-8(11)7-10-9-5-3-2-4-6-9/h8-11H,2-7H2,1H3/t8-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
