
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.2426   -2.0129   -1.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005    2.3074    1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5947   -1.1534   -0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936   -1.0111    0.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4697    0.9430   -0.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6908   -1.1083    0.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9061    0.7769   -0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3054    0.0227   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8175    0.1871   -0.1486 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3691    0.9303    1.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5054   -0.2366    0.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1796   -2.2653   -1.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5075   -1.5026   -2.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8022   -2.9535   -1.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5130    2.8485    1.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    2.8354    0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8678    2.3564    1.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4475   -1.7431    0.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6720   -0.9445   -0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722   -1.7477    1.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8777    1.7858   -1.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1932   -1.9183    1.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5806    1.4796   -1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0579    0.7352   -1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3850    0.9465    0.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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 10  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  2  0  0  0  0
  7 23  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
  9 24  1  0  0  0  0
 10  9  1  0  0  0  0
 10 25  1  0  0  0  0
M  END
>  <ID>
Z1250132788

>  <Barcode>
9990531663

>  <Well>
G09

>  <Plate_ID>
816280-06

>  <MW>
150.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H14N2/c1-3-9(10-2)8-4-6-11-7-5-8/h4-7,9-10H,3H2,1-2H3/t9-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
