
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -7.5059    1.8648   -0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0262    2.1729   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076    0.0303   -0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7914    2.3490   -0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2955    0.1375   -1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1851    2.4548   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1218    0.5664    0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2205    1.6189    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4002   -0.8601   -0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1431    1.1270   -0.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9428    1.3386   -0.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4996    0.1950   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0584   -0.0548   -0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7321   -0.6963    0.0053 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8857    1.4692    0.1865 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2519    1.0686   -0.3326 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015   -1.2000   -0.6415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3020    1.3213   -0.9503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1080    2.5027    0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7128    0.8169    0.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8240    2.0216   -1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8587    3.2241   -0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7248    1.9880    0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -0.9326   -1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2269    3.2356   -0.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8707   -0.7323   -1.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6493    3.4213   -0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1872    0.7109    0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5607    2.6211    0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.8704   -0.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7316    1.9241   -0.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 18  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  4 10  2  0  0  0  0
  4 25  1  0  0  0  0
  5  3  2  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  6  4  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  7 28  1  0  0  0  0
  8 15  1  0  0  0  0
  8 29  1  0  0  0  0
  9 12  1  0  0  0  0
  9 30  1  0  0  0  0
 10 16  1  0  0  0  0
 11  6  2  0  0  0  0
 12 13  1  0  0  0  0
 14  9  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 16 31  1  0  0  0  0
 17 13  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <ID>
Z27808049

>  <Barcode>
0110705879

>  <Well>
G01

>  <Plate_ID>
816280-01

>  <MW>
243.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H13N3O2/c1-2-18-11-5-3-10(4-6-11)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	17
3	C	10
4	C	11
5	C	12
6	C	13
7	C	16
8	C	15
9	C	8
10	C	7
11	C	9
12	C	2
13	C	1
14	N	6
15	N	4
16	N	3
17	O	5
18	O	14
19	H	30
20	H	31
21	H	29
22	H	27
23	H	28
24	H	21
25	H	22
26	H	23
27	H	24
28	H	26
29	H	25
30	H	20
31	H	19


> <ALATIS_Mixture_Map>

$$$$
