
    alatis_output_mol

 33 33  0  0  0  0  0  0  0  0999 V2000
   -1.4094    1.3799    0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9638    4.9936   -1.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7359    5.0086   -0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511    3.7800   -1.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966    3.8101   -0.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9260    2.5770   -1.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9060   -1.8176   -0.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050   -3.2189   -0.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9996   -2.4246    0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0185   -1.2461    0.2369 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6787    2.5457   -0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798    0.0866   -0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2121   -3.6536    0.2160 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079    1.3012   -0.2104 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8818    0.0428   -0.3052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5410    2.0320    1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9974    1.7787   -0.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655    0.4219    0.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4589    5.9215   -1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2756    5.9559   -0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4999    3.7674   -2.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496    3.9036    0.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4533    1.7024   -1.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3562   -1.8870   -1.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8582   -1.2771   -0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5325   -3.9243   -1.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7999   -3.1563    0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7161   -2.4150   -0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5857   -2.3959    1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5155   -1.1604    1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1094   -4.1471    1.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6617   -0.4111    2.2047 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8040   -1.0463    0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  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  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
  5 11  2  0  0  0  0
  5 22  1  0  0  0  0
  6 11  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  7  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 11 14  1  0  0  0  0
 13  8  1  0  0  0  0
 13  9  1  0  0  0  0
 13 31  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <ID>
Z2447286438

>  <Barcode>
0110705835

>  <Well>
B04

>  <Plate_ID>
816280-02

>  <MW>
240.74

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H16N2O.ClH/c1-14(11-5-3-2-4-6-11)12(15)10-7-8-13-9-10;/h2-6,10,13H,7-9H2,1H3;1H/t10-;/m0./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	8
2	 H 	21


$$$$
