
    alatis_output_mol

 35 33  0  0  0  0  0  0  0  0999 V2000
    1.8644   -4.8791   -2.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8402   -5.6312    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552   -0.5467    1.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3777   -3.4935   -1.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -4.2623    0.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4556   -1.2369    2.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7231   -1.8496    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9401   -1.4278    0.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4784   -2.5018    3.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -3.7353    3.3453 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4590   -1.8018    4.3029 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4008   -5.9201   -1.3492 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103   -0.6623    0.2789 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8951   -3.2443   -0.4583 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490   -1.7666    2.1134 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4818   -5.1012   -3.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773   -4.8748   -2.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4498   -6.4027    0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540   -5.6335    0.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7697    0.0204    1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641   -2.7389   -2.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2629   -3.4532   -1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165   -4.2258    0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918   -4.1480    1.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9891   -1.3155    3.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7377   -1.1818   -0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7654   -1.6598    0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221   -2.6253    2.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155   -6.8379   -1.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114    1.0616    2.6461 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5493    1.6190    1.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8494    1.2384    3.7224 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7337    0.9921    2.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1519    0.7417   -3.1175 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7511    0.9160   -1.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  2  0  0  0  0
  3 20  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 14  1  0  0  0  0
  5 23  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
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 15  1  0  0  0  0
  9 15  1  0  0  0  0
  9 28  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  1  1  0  0  0  0
 12  2  1  0  0  0  0
 12 29  1  0  0  0  0
 13  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  7  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <ID>
Z2444672448

>  <Barcode>
9990532016

>  <Well>
B09

>  <Plate_ID>
816280-05

>  <MW>
325.62

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H14F2N4.3ClH/c10-9(11)15-6-3-13-8(15)7-14-4-1-12-2-5-14;;;/h3,6,9,12H,1-2,4-5,7H2;3*1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	12
2	 H 	25

molecule_3
new index	atom name	original index
1	 Cl	13
2	 H 	26

molecule_4
new index	atom name	original index
1	 Cl	14
2	 H 	27


$$$$
