
    alatis_output_mol

 33 33  0  0  0  0  0  0  0  0999 V2000
    0.3845   -2.4308    1.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5837   -1.1088    0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9186    4.3675    2.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9868    3.2148    2.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    5.6812    2.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5188    4.9189    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    2.4808    0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0599   -1.2259    0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1732    3.5547    0.7750 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6048    0.0596    0.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215    5.9908    1.2885 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2922    1.1789    0.1922 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3643    0.0931    1.9022 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -2.5334    1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0657   -2.3341    2.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410   -3.3577    0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356   -0.8151    1.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9393   -0.3563   -0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0548   -2.0603    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4233    4.1470    3.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7005    4.4646    1.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3096    3.0144    2.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5802    2.3071    1.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8512    6.4958    2.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    5.6410    3.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2959    4.8618    1.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293    5.1945    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271    2.7566   -0.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096    2.4086    1.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2695   -1.3870   -0.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692    3.6204   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0921    6.1046    0.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2580    1.0677   -0.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  3  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 12  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  9  7  1  0  0  0  0
  9 31  1  0  0  0  0
 11  6  1  0  0  0  0
 11 32  1  0  0  0  0
 12 10  1  0  0  0  0
 12 33  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID>
Z1262327459

>  <Barcode>
0110706291

>  <Well>
D04

>  <Plate_ID>
816280-07

>  <MW>
184.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H20N2O/c1-8(2)10(13)12-7-9-4-3-5-11-6-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
