
    alatis_output_mol

 36 35  0  0  0  0  0  0  0  0999 V2000
   -3.1267   -0.2650   -1.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3186    3.8490   -0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406    4.2999    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4097    2.4822   -0.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2722    3.3827    1.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1013   -0.9472   -0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6084   -2.8518   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1352   -0.4035    0.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304   -2.2661    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9092    0.0276   -0.3229 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9234    1.5276   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3604    2.0071    1.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8741    1.1373    2.1097 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9827   -2.4102   -0.2707 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7380   -0.7897    0.6233 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4354    0.3673   -2.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8305   -1.2947   -2.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1500   -0.0463   -2.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6788    4.5615   -1.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6518    5.3644    0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8515    2.1929   -1.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203    3.7405    2.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1399   -0.6937    0.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9355   -0.4619   -1.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5673   -3.9608   -0.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3377   -2.6062   -1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2377    0.6965    1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4370   -0.8498    1.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9065   -2.7048    1.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5846   -2.5802    0.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8510   -0.2782   -0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5823   -2.7246   -1.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202    0.4636    2.9830 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0443    0.1270    2.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541   -1.5028   -3.1320 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3955   -1.5108   -2.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  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  4  2  0  0  0  0
  2 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3  5  2  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 21  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  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 15  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 15  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 14  7  1  0  0  0  0
 14 32  1  0  0  0  0
 15 10  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <ID>
Z2466069494

>  <Barcode>
0110706035

>  <Well>
B12

>  <Plate_ID>
816280-03

>  <MW>
281.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H17FN2.2ClH/c1-10(15-8-6-14-7-9-15)11-4-2-3-5-12(11)13;;/h2-5,10,14H,6-9H2,1H3;2*1H/t10-;;/m0../s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	16
3	C	17
4	C	9
5	C	15
6	C	13
7	C	14
8	C	11
9	C	10
10	C	3
11	C	1
12	C	4
13	F	6
14	N	5
15	N	2
16	H	29
17	H	28
18	H	27
19	H	35
20	H	36
21	H	22
22	H	34
23	H	30
24	H	31
25	H	32
26	H	33
27	H	25
28	H	26
29	H	23
30	H	24
31	H	18
32	H	19
33	Cl	7
34	H	20
35	Cl	8
36	H	21


> <ALATIS_Mixture_Map>
molecule_1
new index	atom name	original index
1	 C 	12
2	 C 	16
3	 C 	17
4	 C 	9
5	 C 	15
6	 C 	13
7	 C 	14
8	 C 	11
9	 C 	10
10	 C 	3
11	 C 	1
12	 C 	4
13	 F 	6
14	 N 	5
15	 N 	2
16	 H 	29
17	 H 	28
18	 H 	27
19	 H 	35
20	 H 	36
21	 H 	22
22	 H 	34
23	 H 	30
24	 H 	31
25	 H 	32
26	 H 	33
27	 H 	25
28	 H 	26
29	 H 	23
30	 H 	24
31	 H 	18
32	 H 	19

molecule_2
new index	atom name	original index
1	 Cl	7
2	 H 	20

molecule_3
new index	atom name	original index
1	 Cl	8
2	 H 	21


$$$$
