
    alatis_output_mol

 35 36  0  0  0  0  0  0  0  0999 V2000
    8.0877    0.9374   -5.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8158    0.1657   -2.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8307    2.5586   -2.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0964    0.2059   -3.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1086    2.5989   -3.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3692   -0.1064    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111    1.0494    0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6511   -1.4133   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199   -0.2759   -0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7694    1.2567   -1.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7940    0.4842   -4.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1689    1.3369   -2.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7502    1.4211   -3.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0255    1.5239   -4.0537 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7033    1.1120   -0.2651 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5229   -0.7127   -4.5294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042   -1.4089    0.3428 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0925    0.6325   -6.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2199    2.0201   -5.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9182    0.4566   -4.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358   -0.8019   -2.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3549    3.4843   -2.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5469   -0.7412   -3.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5861    3.5665   -3.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809   -0.0288    1.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   -0.1442   -0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2790    1.8981   -0.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7159    1.1660    1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1594   -2.2614    0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6549   -1.5921   -1.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4155   -0.2897    0.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5576   -0.3938   -1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2472    2.1820   -2.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2326    0.4562   -2.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3933    2.4621   -4.1490 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 12  2  0  0  0  0
  2 21  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4  2  1  0  0  0  0
  4 23  1  0  0  0  0
  5  3  2  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  6 15  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 15  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  6  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9  7  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 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  2  0  0  0  0
 14 13  1  0  0  0  0
 14 35  1  0  0  0  0
 16 11  2  0  0  0  0
 17  8  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <ID>
Z2856434875

>  <Barcode>
0110705771

>  <Well>
H12

>  <Plate_ID>
816280-02

>  <MW>
234.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H18N2O2/c1-11(16)14-13-4-2-12(3-5-13)10-15-6-8-17-9-7-15/h2-5H,6-10H2,1H3,(H,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
