
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.0048   -2.5775    0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    5.7540   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5223   -2.8512   -0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326   -3.5654   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925   -1.4612   -0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1088   -2.8951   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2687   -0.7878   -0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2749   -0.0322    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5084   -1.1820    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0533   -1.4962   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3696    1.0388    0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079    3.4231    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7469    2.3608    0.0318 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    0.5983    0.0297 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221   -0.7591    0.0154 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3294    3.4223   -0.0058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6352    4.5683   -0.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6644   -3.1098   -0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6978   -3.1119    0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0998   -2.5978   -0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5026    6.6195   -0.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    5.8038    0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769    5.7864   -0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4686   -3.3773   -0.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3498   -4.6527   -0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4194   -0.8957   -0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2343   -3.5217    0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2860    0.3030   -0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3550    0.0105    0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7303    2.5811    0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 17  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  2  0  0  0  0
  5 26  1  0  0  0  0
  6 10  2  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 29  1  0  0  0  0
  9 15  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 11  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <ID>
Z1581680287

>  <Barcode>
0110769283

>  <Well>
B05

>  <Plate_ID>
816280-08

>  <MW>
231.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H13N3O2/c1-9-8-11(13-12(16)17-2)14-15(9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
