
    alatis_output_mol

 37 38  0  0  0  0  0  0  0  0999 V2000
   -8.4315   -2.8305    0.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9391   -0.7543    2.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9435   -0.6913   -0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0754    0.6200    0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0531   -0.5850   -0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8907    1.2816    0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8387   -1.1683   -0.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9055    0.1088   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5214   -1.2975   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078    0.6743    0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -0.5210   -0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4085    0.0506   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7545   -0.9376    0.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2563   -1.3042    0.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9822   -1.3315   -0.0935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255    1.0205    0.5567 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6577   -0.8854   -0.5760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2661   -0.3474    1.9371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9701   -3.2977    1.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9742   -3.2799    0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4933   -3.1042    0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0162   -0.9517    2.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5185   -1.2102    3.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7975    0.3297    2.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0200   -0.9052   -0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5422   -1.0906   -1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8218    0.3970   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332    1.0517    0.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9872   -1.0797   -0.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9128    2.2163    1.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114   -2.1028   -1.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2444    0.6664   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2419    0.6704    0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620   -1.8637   -0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2174   -1.8465    0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3898   -1.9536   -0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9629    1.8411    1.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 28  1  0  0  0  0
  5  7  2  0  0  0  0
  5 29  1  0  0  0  0
  6 10  1  0  0  0  0
  6 30  1  0  0  0  0
  7 11  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9  8  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
 11 17  1  0  0  0  0
 12 17  2  0  0  0  0
 13 15  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 15 36  1  0  0  0  0
 16 10  1  0  0  0  0
 16 12  1  0  0  0  0
 16 37  1  0  0  0  0
 18 13  2  0  0  0  0
M  END
>  <ID>
Z111716368

>  <Barcode>
0110705929

>  <Well>
B02

>  <Plate_ID>
816280-01

>  <MW>
245.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H19N3O/c1-14(2,3)13(18)15-9-8-12-16-10-6-4-5-7-11(10)17-12/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	14
2	C	15
3	C	16
4	C	17
5	C	18
6	C	13
7	C	12
8	C	8
9	C	11
10	C	6
11	C	4
12	C	2
13	C	5
14	C	7
15	N	10
16	N	3
17	N	1
18	O	9
19	H	27
20	H	28
21	H	29
22	H	31
23	H	30
24	H	32
25	H	35
26	H	33
27	H	34
28	H	36
29	H	37
30	H	26
31	H	25
32	H	20
33	H	21
34	H	23
35	H	24
36	H	22
37	H	19


> <ALATIS_Mixture_Map>

$$$$
