
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -3.5738   -2.1844   -2.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3729   -1.0050   -2.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8847   -3.4589   -2.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7132   -1.3748   -0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1669   -3.7735   -1.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037   -1.7897    0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8976   -2.5747   -0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6818   -1.6835    0.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0716   -0.9198    1.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444   -0.4622    2.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5892   -1.1988    1.5810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4593   -2.3239   -0.1030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2528   -0.2778    2.7852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3826   -0.7382    2.2379 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8964    0.2212    3.3453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6476   -2.3785   -3.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1994   -1.9191   -3.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3360   -0.6540   -2.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0047   -0.1685   -2.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2090   -4.3040   -3.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8041   -3.3635   -2.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5778   -0.4973    0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7807   -1.6312   -0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2148   -4.0811   -0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5534   -4.6304   -0.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1623   -2.4022   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2185   -2.8488    0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9471   -2.7572   -0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3003   -0.2193    3.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2518    0.7249    3.8678 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 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  2  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  8  6  1  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
 10 13  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 12 28  1  0  0  0  0
 14  9  1  0  0  0  0
 14 29  1  0  0  0  0
 15 10  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
>  <ID>
Z57283017

>  <Barcode>
0110706256

>  <Well>
G08

>  <Plate_ID>
816280-07

>  <MW>
209.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H2,11,13,14,15)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
