
    alatis_output_mol

 34 34  0  0  0  0  0  0  0  0999 V2000
   -0.8778   -1.2679    2.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    3.1366   -2.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0499    2.1501   -1.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7423   -1.1016    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4643    0.0625   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4189    0.2363    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8002    1.3638    0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416    4.7430   -1.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7280   -1.1598    0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9431    4.4302   -2.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6235    3.7773   -0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0933    2.4296   -0.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4428    4.3813    0.4485 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3144    5.4263   -3.6957 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6051    1.3783   -0.0555 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -0.4175    2.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4098   -2.2044    2.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9579   -1.2980    2.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1761    2.8891   -3.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4633    1.1619   -2.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3132   -1.9657    0.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7371   -1.1898   -1.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4352    0.0159   -1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5318    0.0536    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5159    0.2778    1.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    0.2661   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3860    2.1539   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8585    1.4911    1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604    5.7544   -1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2018   -2.0769    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989    6.3696   -3.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9606    5.2121   -4.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3479   -1.3776   -3.4001 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9606   -1.1299   -2.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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  2  0  0  0  0
  2 19  1  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  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
  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 11  1  0  0  0  0
  8 29  1  0  0  0  0
  9  5  1  0  0  0  0
  9 30  1  0  0  0  0
 10  2  1  0  0  0  0
 10  8  2  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <ID>
Z57345491

>  <Barcode>
0110770186

>  <Well>
H11

>  <Plate_ID>
816280-08

>  <MW>
261.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H17ClN2.ClH/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13;/h2-3,8-9H,4-7,14H2,1H3;1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	14
2	 H 	30


$$$$
