
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.7272    2.8183   -3.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4600   -2.4170    0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    4.6978   -1.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2127    4.4440   -2.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6771    3.6400   -0.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280   -0.0756   -0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7472    1.2466    0.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4468    0.1067    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6658    3.1390   -2.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6987   -1.2142   -0.3318 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1613    2.3431   -0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6857   -1.2725    0.2000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657    2.1100   -1.8754 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    1.2771   -0.3193 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6190    3.4275   -3.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0154    1.7646   -3.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540    3.0194   -4.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9815   -3.3571   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4992   -2.3928    1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891   -2.4356   -0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8280    5.7054   -1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6323    5.2453   -3.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0984    3.8524   -0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4330   -0.1108    0.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473   -0.0978   -1.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590    2.0641   -0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7356    1.3387    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    0.1389    1.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137    0.1087   -0.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6512   -1.3102   -1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1466   -2.1005   -0.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  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  3  1  0  0  0  0
  4  9  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  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 14  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 14  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  1  0  0  0  0
 10  8  1  0  0  0  0
 10 30  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 12 10  1  0  0  0  0
 12 31  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <ID>
Z1267885772

>  <Barcode>
9990531832

>  <Well>
A06

>  <Plate_ID>
816280-06

>  <MW>
191.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H17N3/c1-9-4-3-5-11(13-9)14-7-6-12-10(2)8-14/h3-5,10,12H,6-8H2,1-2H3/t10-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
