
    alatis_output_mol

 30 30  0  0  0  0  0  0  0  0999 V2000
    3.4277   -0.1136   -0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8877   -4.1266   -1.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1695   -4.3344   -0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9379   -2.8535   -2.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850   -3.2745   -0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0797    1.2891   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2971    0.4383    0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2822   -1.7833   -1.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1112    0.4286    0.3782 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5409   -1.9839   -0.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5170   -0.9471    0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3164   -0.5691   -2.4026 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2356    0.7172   -0.5363 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8107   -0.9024   -0.0396 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572   -1.9863    0.2255 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2201   -1.1739   -0.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8455   -0.0096    0.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1912    0.2126   -1.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3977   -4.9519   -2.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330   -5.3242   -0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4774   -2.6966   -3.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9278   -3.4560    0.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1035    2.3343    0.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0372    1.3280   -1.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5159    0.5395    1.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2199    0.7110   -0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810    0.5804    1.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5203    1.7160   -0.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209   -1.4092   -3.1495 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7218   -2.2584   -2.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  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  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 13 28  1  0  0  0  0
 15 11  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <ID>
Z1186029914

>  <Barcode>
0110770236

>  <Well>
C12

>  <Plate_ID>
816280-08

>  <MW>
244.70

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H13FN2O.ClH/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12;/h2-5,9,13H,6-7H2,1H3;1H/t9-;/m0./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	11
2	 H 	23


$$$$
