
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
   -2.0398    4.2452    1.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4444   -5.1875   -0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4313   -4.2069   -0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1102   -4.8196    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0888   -2.8530   -0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2399   -3.4691    0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7626    2.5597   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9251    0.5887    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1806    0.0072   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3723    1.1259    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7475   -2.4752   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6439    2.8443    1.1118 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9392   -0.7434    0.1524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678   -1.1040    0.0408 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7063    4.4306    1.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5867    4.5079    0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1741    4.9079    1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7149   -6.2386   -0.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4717   -4.4965   -0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6612   -5.5824    0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8892   -2.1239   -0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2890   -3.2056    0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787    2.7525   -0.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1313    3.1938    0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677    1.1175    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2543   -0.0657   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528    2.6240    1.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  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 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  8 25  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
 10  9  2  0  0  0  0
 11 14  1  0  0  0  0
 12  7  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <ID>
Z102768020

>  <Barcode>
9990532023

>  <Well>
A09

>  <Plate_ID>
816280-05

>  <MW>
187.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
