
    alatis_output_mol

 34 35  0  0  0  0  0  0  0  0999 V2000
   -3.3632    1.2619    2.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6670   -0.9933    3.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0134   -3.3490    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6645   -1.2206    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5016   -3.3318    0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4394   -0.5480    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750   -2.6583    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6159   -0.2188    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9398   -0.2072    2.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7051   -2.6177    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2301   -1.2573    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1255   -0.2120    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9499   -0.5536    0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2443   -0.8480    1.1846 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2674   -1.2090    0.0411 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    0.7864    0.0332 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5292    1.0128    0.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4238    1.3853    2.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030    1.6640    3.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7787    1.8822    1.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3556   -2.0438    3.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4433   -0.5773    4.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7541   -0.9627    3.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015   -4.0477   -0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0857   -3.9034    1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8622   -2.6589    0.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5846   -0.6409    0.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110   -4.4198    0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4409    0.5402    0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541   -3.2379    0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378   -0.7832   -0.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0085    0.7936   -0.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8644   -0.2748    2.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9319   -1.8204    1.2200 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  9  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 10  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  2  0  0  0  0
  5 28  1  0  0  0  0
  6 11  2  0  0  0  0
  6 29  1  0  0  0  0
  7 11  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 14  1  0  0  0  0
  9 33  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 14 34  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <ID>
Z2856434849

>  <Barcode>
0110706321

>  <Well>
B10

>  <Plate_ID>
816280-07

>  <MW>
231.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H17N3O/c1-9(2)14-8-12-15-13(16-17-12)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	16
2	C	17
3	C	15
4	C	11
5	C	12
6	C	10
7	C	9
8	C	7
9	C	14
10	C	13
11	C	6
12	C	4
13	C	2
14	N	8
15	N	1
16	N	3
17	O	5
18	H	29
19	H	31
20	H	30
21	H	34
22	H	33
23	H	32
24	H	27
25	H	28
26	H	26
27	H	23
28	H	24
29	H	22
30	H	21
31	H	18
32	H	19
33	H	25
34	H	20


> <ALATIS_Mixture_Map>

$$$$
