
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -0.1646    5.5232    2.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037    4.9571    1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1161   -0.7605   -0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448    0.6341   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054   -1.4540   -0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396    1.1045    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4216   -0.0264    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463    2.9136   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9599    1.4023   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2722    0.6989    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2697   -0.6971   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    3.5011    1.1697 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5839   -1.1084   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1159    6.6170    2.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3299    5.1724    3.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2201    5.2339    2.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0146    5.3446    0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5441    5.2972    1.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0503   -1.3170   -0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1121    1.1332   -0.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8841   -2.5383   -0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0012    2.1247    0.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4955   -0.1518    0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0955    3.2257   -0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5378    3.2683   -0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9073    3.1354    1.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8805   -2.0739   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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 12  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  2  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  7  6  2  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 12 26  1  0  0  0  0
 13 11  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <ID>
Z1137725943

>  <Barcode>
9990531705

>  <Well>
D10

>  <Plate_ID>
816280-06

>  <MW>
174.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H14N2/c1-2-12-8-9-4-3-5-11-10(9)6-7-13-11/h3-7,12-13H,2,8H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
