
    alatis_output_mol

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.7801   -0.3597    3.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8893   -8.0911    0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0394   -7.7154   -0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0397   -7.1181    0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3401   -6.3638   -0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4109   -4.7094    1.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819   -3.3353    1.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -3.9112   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1398   -1.5814   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1351   -0.8275    1.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9858   -0.6538    2.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3412   -5.7600    0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4874   -5.3742   -0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1628   -1.1578    0.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2569   -0.4635    2.7567 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5111   -1.2410    0.7036 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7377   -2.9951    0.0782 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7777    0.6846    3.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8639   -0.5285    2.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7468   -1.0016    3.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535   -9.1442    0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057   -8.4739   -0.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -7.4215    1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2444   -6.0819   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4628   -4.6430    0.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -5.0054    2.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3008   -2.6046    1.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7974   -3.3411    2.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6992   -3.7305    0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2132   -3.7497   -1.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2506   -0.9450    0.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5330   -1.3875   -1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2075   -0.7722    1.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044   -0.1216    3.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  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  4  2  0  0  0  0
  2 21  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 17  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 17  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 14  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 33  1  0  0  0  0
 11 14  2  0  0  0  0
 12  6  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 15 11  1  0  0  0  0
 15 34  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <ID>
Z2856434879

>  <Barcode>
0110769308

>  <Well>
A05

>  <Plate_ID>
816280-08

>  <MW>
227.31

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
