
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
    3.3917   -2.0660    5.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0761   -3.1516   -2.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698   -4.8615   -1.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745   -2.0847   -1.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8023   -3.7369   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0633   -1.3599    0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0258   -4.6370   -2.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4131   -1.7215    3.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546   -4.5337   -2.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7758   -1.4871    1.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493   -1.9736    2.9441 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4522   -1.1083    3.1920 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3366   -2.4476   -0.4769 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4095   -4.3529   -3.8251 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316   -0.9538    1.8685 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6160   -1.4899    5.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -3.1304    5.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3505   -1.8506    5.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634   -3.2112   -2.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6566   -2.8482   -3.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6218   -5.7954   -0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1524   -5.0371   -1.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206   -1.1432   -2.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6919   -1.9177   -1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7259   -3.6644    0.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2843   -4.0250    0.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9853   -1.2780    0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746   -0.4027    0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2972   -5.6523   -2.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4736   -3.9404   -1.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9673   -5.2655   -3.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3755   -4.4649   -3.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 12  8  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 14 32  1  0  0  0  0
 15 10  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
>  <ID>
Z416877194

>  <Barcode>
9990531649

>  <Well>
H02

>  <Plate_ID>
816280-06

>  <MW>
211.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H17N3O2/c1-8-11-10(15-12-8)6-13-4-2-9(7-14)3-5-13/h9,14H,2-7H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	10
3	C	11
4	C	9
5	C	8
6	C	7
7	C	15
8	C	4
9	C	12
10	C	2
11	N	1
12	N	3
13	N	6
14	O	14
15	O	5
16	H	29
17	H	28
18	H	27
19	H	22
20	H	23
21	H	24
22	H	25
23	H	20
24	H	21
25	H	18
26	H	19
27	H	16
28	H	17
29	H	31
30	H	32
31	H	26
32	H	30


> <ALATIS_Mixture_Map>

$$$$
