
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.3444   -0.9340    1.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3971    0.5890    1.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124   -3.0000   -1.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0733   -1.3402    0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9533    1.0084    1.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791   -2.0580   -1.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7278   -2.1180    0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4704   -1.0525   -1.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4541   -0.0378    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0673   -1.0110   -1.0162 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9995   -0.0252   -0.0955 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5777   -1.2820    0.3098 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2408   -1.3777    0.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2858   -1.2828    2.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8174    1.0160    2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0203    0.9145    0.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -3.8069   -0.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3019   -3.4486   -1.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962   -2.0291   -0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3987   -1.8616    1.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3968    0.9596    1.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785    2.0287    0.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428   -2.5773   -2.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3881   -1.5716   -2.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5989   -1.4812   -0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8975   -2.6846    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7896   -2.0449   -0.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8506   -0.8847   -2.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8828    0.1958   -0.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4093   -0.0107   -1.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5679   -0.1689    0.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  1  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  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 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  3  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
 10  8  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <ID>
Z90504169

>  <Barcode>
9990531665

>  <Well>
G07

>  <Plate_ID>
816280-06

>  <MW>
169.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H19NO/c1-2-5-9(4-1)11-8-10-6-3-7-12-10/h9-11H,1-8H2/t10-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
