
    alatis_output_mol

 32 33  0  0  1  0  0  0  0  0999 V2000
    0.6319   -1.2438    0.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485    6.9698   -3.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    5.8939   -4.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3317    7.7734   -4.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3479    6.6988   -5.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    5.1228   -2.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5823    3.8333   -2.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6902    0.3173    0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5163   -0.3559   -0.1057 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3648    6.0234   -3.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3304    7.6325   -5.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087    1.1486    0.0886 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6491    2.0421   -1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009    8.6145   -7.0765 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6165    2.9320   -1.2710 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6089    1.9532   -1.8518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3737   -1.2711    0.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500   -0.9113    1.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283   -2.2641    0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4387    7.0876   -2.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604    5.1616   -4.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    8.5030   -4.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1283    6.5872   -6.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9449    5.6603   -1.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    4.8939   -1.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4711    4.0568   -2.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808    3.3065   -3.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8396    0.1944    1.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143    0.3763   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6505   -0.7346   -1.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8742    1.5367    0.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1431    2.9529   -0.6035 H   0  0  0  0  0  0  0  0  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 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  2  0  0  0  0
  3 21  1  0  0  0  0
  4  2  2  0  0  0  0
  4 22  1  0  0  0  0
  5  3  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 15  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9  1  1  0  0  0  0
  9 30  1  6  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  6  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 15 32  1  0  0  0  0
 16 13  2  0  0  0  0
M  END
>  <ID>
Z1802166390

>  <Barcode>
9990529580

>  <Well>
E04

>  <Plate_ID>
816280-04

>  <MW>
237.73

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H16ClNO/c1-9-8-12(9)13(16)15-7-6-10-2-4-11(14)5-3-10/h2-5,9,12H,6-8H2,1H3,(H,15,16)/t9-,12-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
