
    alatis_output_mol

 35 35  0  0  0  0  0  0  0  0999 V2000
   -1.1918   -1.4158    4.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5558   -2.3987    4.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.3018    4.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4567   -2.2669    2.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6469   -0.1650    2.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5089    0.2005   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5928   -1.1273    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862    1.4857    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589    0.1740    0.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8177    1.4854   -1.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9869   -1.1382    2.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680   -1.0510    0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2169    1.7406   -2.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7154    1.3686   -0.2824 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1659    1.8084   -1.4952 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    1.9221   -3.5804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2726   -1.5163    5.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1494   -3.2726    4.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2411    0.4606    4.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0324   -3.0562    2.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1132    0.7062    2.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5463    0.0495   -1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5621    0.3123    0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5916   -1.2937   -1.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1265   -1.9936    0.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6618    1.7287    1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1835    2.3541   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4052    0.0695   -0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4086    0.3126    1.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.5934   -2.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2313    2.3701   -2.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062   -1.9474    0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968    1.9045   -4.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2358   -1.5904   -2.5227 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3539   -1.8007   -1.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4 11  2  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 14  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 14  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 12  7  1  0  0  0  0
 12 32  1  0  0  0  0
 13 10  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 16 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <ID>
Z287148438

>  <Barcode>
9990531956

>  <Well>
G04

>  <Plate_ID>
816280-05

>  <MW>
255.75

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H17NO2.ClH/c15-13(16)10-14-8-6-12(7-9-14)11-4-2-1-3-5-11;/h1-5,12H,6-10H2,(H,15,16);1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	12
2	 H 	30


$$$$
