
    alatis_output_mol

 31 33  0  0  0  0  0  0  0  0999 V2000
   -1.0899   11.1052   -0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7885    9.8613   -1.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2404   10.1716    0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3294    4.2182   -0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1396    4.7533    0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399    2.8500   -0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1598    3.3930    0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    0.4554    0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5218    9.0075   -0.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735    5.1840   -0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7832    2.4333   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744    7.6383   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -0.8472    0.3657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7046    6.5452   -0.4367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6961   -1.0630   -0.0943 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3390    0.0829   -0.2774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683    1.0579    0.0707 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2816    7.5675    0.2053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2806   11.8371   -0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0164   11.6180   -1.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2388    9.8567   -2.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2819    9.6434   -1.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578   10.4167    1.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3179   10.0602    1.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3091    4.5090   -0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350    5.4518    0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8043    2.1273   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453    3.1382    0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5841    0.9831    0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5962    8.9292   -0.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6287    6.7364   -0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  6 11  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  2  0  0  0  0
  7 28  1  0  0  0  0
  8 17  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  5  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 14 31  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 12  2  0  0  0  0
M  END
>  <ID>
Z26552420

>  <Barcode>
9990531991

>  <Well>
D08

>  <Plate_ID>
816280-05

>  <MW>
243.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H13N5O/c18-12(9-2-1-3-9)14-10-4-6-11(7-5-10)17-8-13-15-16-17/h4-9H,1-3H2,(H,14,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
