
    alatis_output_mol

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.8350   -1.5211    2.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1679   -1.0819    0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2734   -3.7425    0.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2930   -2.8254   -0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489   -0.0691    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8537   -4.9994    0.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8012   -4.1136   -0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3652    1.0102    0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0859   -1.4311   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9872   -2.6123    0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4791   -1.2252    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020   -5.2101   -0.1169 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931    0.6090    0.0957 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8237   -0.7469    0.0934 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8952   -1.0837    2.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7585   -2.6112    2.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271   -1.1992    3.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3535   -0.0030    0.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083   -1.5604    0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097   -3.6907    0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9302   -2.0016   -0.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3239   -0.0117    0.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127   -5.9012    0.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8161   -4.2923   -0.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5843    2.0698    0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363   -1.1251   -1.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9356   -2.5073   -0.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  9  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 20  1  0  0  0  0
  4 10  2  0  0  0  0
  4 21  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  5 22  1  0  0  0  0
  6  3  2  0  0  0  0
  6 23  1  0  0  0  0
  7  4  1  0  0  0  0
  7 24  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
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <ID>
Z1381484542

>  <Barcode>
0110770189

>  <Well>
G11

>  <Plate_ID>
816280-08

>  <MW>
187.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13N3/c1-2-9-14-11(5-8-13-14)10-3-6-12-7-4-10/h3-8H,2,9H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
