
    alatis_output_mol

 35 35  0  0  0  0  0  0  0  0999 V2000
    4.3135    0.6782   -4.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8781    0.3010   -3.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402    4.5698   -1.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019    4.3250   -2.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8956    3.5241   -0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113    3.0352   -2.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9316    1.1369    1.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8084   -0.6082    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5323    1.4905    1.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6632   -0.2448   -0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012    2.1827   -0.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0806    1.9354   -1.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1479   -0.2876    1.5435 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8754    1.1631    0.1677 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5235    0.6757   -2.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3330    0.8223   -5.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6856    1.6107   -3.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -0.1332   -3.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    0.7681   -4.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7585   -0.7956   -3.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9057    5.5762   -1.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2765    5.1403   -3.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    3.7998    0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9891    2.9228   -3.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    1.3481    2.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5964    1.7624    1.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703   -1.6936   -0.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4911   -0.0506   -0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7237    2.5417    1.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1737    0.8910    2.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3261   -0.8702    0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8686   -0.4885   -1.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1579   -0.5119    1.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3420    1.1992   -3.5033 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5470    0.6845   -2.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4  6  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 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 14  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 14  1  0  0  0  0
 12 11  2  0  0  0  0
 13  7  1  0  0  0  0
 13  8  1  0  0  0  0
 13 33  1  0  0  0  0
 15 12  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <ID>
Z425387594

>  <Barcode>
0110705915

>  <Well>
D12

>  <Plate_ID>
816280-01

>  <MW>
242.75

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H18N2O.ClH/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14;/h3-6,13H,2,7-10H2,1H3;1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>
molecule_1
new index	atom name	original index
1	 C 	14
2	 C 	13
3	 C 	15
4	 C 	16
5	 C 	11
6	 C 	12
7	 C 	9
8	 C 	10
9	 C 	8
10	 C 	7
11	 C 	2
12	 C 	4
13	 N 	3
14	 N 	1
15	 O 	6
16	 H 	31
17	 H 	33
18	 H 	32
19	 H 	29
20	 H 	30
21	 H 	34
22	 H 	35
23	 H 	27
24	 H 	28
25	 H 	23
26	 H 	24
27	 H 	25
28	 H 	26
29	 H 	21
30	 H 	22
31	 H 	19
32	 H 	20
33	 H 	17

molecule_2
new index	atom name	original index
1	 Cl	5
2	 H 	18


$$$$
