
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.8345   -1.5725   -2.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0291   -0.1366   -4.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036    1.0995   -3.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759   -1.4044   -3.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6377   -3.6355    1.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3838   -3.4378    1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1996    1.1129   -2.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2511   -1.5198    1.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3164   -1.3781   -2.0404 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0089   -1.3355    0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7612   -0.0838   -0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -2.6796    1.8576 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0323   -2.2852    0.7063 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0775   -0.1365   -1.3441 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    0.9660    0.3429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3626   -0.7825   -2.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1060   -2.5299   -2.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2143   -1.5701   -0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1004   -0.0828   -4.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4965   -0.1683   -5.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4981    1.1085   -3.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1098    2.0039   -4.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0767   -2.2869   -4.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3670   -1.5034   -3.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9083   -4.5767    2.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3719   -4.2152    1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830    1.9770   -1.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2878    1.2314   -2.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0174   -0.7521    1.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1254   -2.2449   -1.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  2  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  6 13  1  0  0  0  0
  6 26  1  0  0  0  0
  7 14  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 12  8  2  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <ID>
Z32968340

>  <Barcode>
0110706283

>  <Well>
E05

>  <Plate_ID>
816280-07

>  <MW>
205.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
