
    alatis_output_mol

 33 33  0  0  0  0  0  0  0  0999 V2000
   -0.4323    2.6893   -6.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9661   -2.6443   -0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8364   -3.1870   -0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9479   -1.3202   -1.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6912   -2.4068   -0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8066   -0.5370   -1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5243   -0.6981   -2.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    1.6217   -2.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0853   -0.2983   -3.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462    2.0186   -3.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6624   -1.0721   -0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8954    0.2555   -1.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    1.0589   -4.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4238   -0.2178   -0.3967 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7353    0.8983    0.5048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3767    1.4015   -5.5654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1896    3.2822   -5.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    2.6572   -7.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5650    3.1737   -5.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8510   -3.2495   -1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8524   -4.2123    0.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8206   -0.9010   -1.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8265   -2.8435    0.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8118    0.4858   -1.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5919   -1.7562   -2.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416    2.3978   -1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1771   -1.0498   -4.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2908    3.0769   -3.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188   -0.8214    0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083    1.4876    0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524    0.5163    1.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9724    1.5205    2.1198 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1287    0.5090    2.5191 H   0  0  0  0  0  0  0  0  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
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5 11  2  0  0  0  0
  5 23  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  2  0  0  0  0
  8 26  1  0  0  0  0
  9  7  2  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
 10  8  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  1  0  0  0  0
 13 10  2  0  0  0  0
 14 29  1  0  0  0  0
 15 14  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 13  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <ID>
Z2574937229

>  <Barcode>
0110770190

>  <Well>
G10

>  <Plate_ID>
816280-08

>  <MW>
249.74

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H15NO.ClH/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11;/h2-10,14H,15H2,1H3;1H/t14-;/m1./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	10
2	 H 	25


$$$$
