
    alatis_output_mol

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.8779   -3.5742   -0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4008    0.6401   -0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3603   -0.7550   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2137    1.3696   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1324   -1.4241    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0088    0.6903    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0671   -0.7094    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3712   -0.7156   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2842    1.4300    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7403   -1.3836   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7001   -2.7558   -0.0985 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -1.4211    0.0092 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092    0.6535   -0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283    2.6539    0.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7400   -0.6805   -0.1293 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7838   -4.2022   -1.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9311   -4.2106    0.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7842   -2.9673   -0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3565    1.1580   -0.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2863   -1.3246   -0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2388    2.4568   -0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1107   -2.5108    0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7790   -3.1837   -0.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111    1.1165   -0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 11 23  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 13 24  1  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ID>
Z332370018

>  <Barcode>
0110705864

>  <Well>
H09

>  <Plate_ID>
816280-01

>  <MW>
203.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H9N3O2/c1-11-10(15)8-12-7-5-3-2-4-6(7)9(14)13-8/h2-5H,1H3,(H,11,15)(H,12,13,14)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
