
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.6735    3.3813    1.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7385    1.1146    3.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5147    2.9385    1.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9914   -2.5017   -2.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686   -2.3364   -3.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080   -1.6510   -1.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966   -1.2980   -2.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853    1.4141    2.1339 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5732   -0.6141   -1.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6660   -0.3829   -1.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0693    0.1824    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5783    0.6108   -1.3112 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0974    0.7305    0.8793 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2715    0.2837    0.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4922    3.1327    0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7959    4.4679    1.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6134    2.9187    1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5472    1.5895    4.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020    1.4811    2.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8384    0.0362    3.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6584    3.3876    2.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4154    3.3562    1.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6410   -3.3059   -2.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114   -3.0171   -3.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3804   -1.8102   -1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0826   -1.1995   -3.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3245    1.0161    2.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0886    1.4584   -1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711    0.8342   -2.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8669    0.4821    0.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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  8  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  8  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4 23  1  0  0  0  0
  5  4  1  0  0  0  0
  5  7  2  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  2  0  0  0  0
 12 10  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 11  1  0  0  0  0
 13 30  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <ID>
Z56040660

>  <Barcode>
0110705923

>  <Well>
C05

>  <Plate_ID>
816280-01

>  <MW>
192.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H16N2O/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12/h4-8H,3,12H2,1-2H3,(H,13,14)/t8-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
