
    alatis_output_mol

 35 36  0  0  0  0  0  0  0  0999 V2000
    2.7300   -1.9018   -4.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6881   -0.9828   -4.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544   -2.6100   -3.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005   -0.7446   -2.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5490   -2.3895   -1.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8154   -0.2440    2.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0395    2.1442    2.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4105   -0.7163    2.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3551    1.6329    1.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8074    1.1328    3.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5518   -1.4198   -1.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2522    1.0374    4.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8286    0.1818   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1841    2.2113    5.1964 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405   -1.1196   -0.4204 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957    0.3201    1.2560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9113   -0.0097    5.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362    1.1661   -0.6898 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2153   -2.0588   -5.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3422   -0.4394   -4.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9757   -3.3171   -3.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2973   -0.0152   -2.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9126   -2.9310   -0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4269   -0.1711    1.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2906   -0.9968    3.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5962    2.3105    1.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9581    3.1189    2.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1937   -0.9464    2.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5031   -1.6368    1.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8658    2.3635    1.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624    1.5266    2.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8466    1.4719    3.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    3.0954    4.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8520    2.1710    6.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3355   -1.7290    0.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4 11  2  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 16  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 16  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10  6  1  0  0  0  0
 10 32  1  0  0  0  0
 11 15  1  0  0  0  0
 12 10  1  0  0  0  0
 14 12  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 13  1  0  0  0  0
 15 35  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
M  END
>  <ID>
Z33545544

>  <Barcode>
9990531967

>  <Well>
F08

>  <Plate_ID>
816280-05

>  <MW>
247.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	18
2	C	16
3	C	17
4	C	15
5	C	14
6	C	10
7	C	11
8	C	6
9	C	7
10	C	8
11	C	13
12	C	4
13	C	1
14	N	12
15	N	3
16	N	2
17	O	9
18	O	5
19	H	35
20	H	33
21	H	34
22	H	32
23	H	31
24	H	25
25	H	26
26	H	27
27	H	28
28	H	20
29	H	21
30	H	22
31	H	23
32	H	24
33	H	29
34	H	30
35	H	19


> <ALATIS_Mixture_Map>

$$$$
