
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -3.1273    0.9861    1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460    1.7834   -0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3323   -4.3064   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2251   -4.0552    0.9926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3844   -3.3406   -0.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6149    0.8979    1.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910    1.5390   -1.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2194   -1.8712    1.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908    0.9329   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -2.8399    1.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3195   -2.1123    0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1301    0.0948    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2709   -2.5292    2.9515 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3611   -1.1749   -0.1772 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320    0.6508   -0.2970 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182    0.5733    1.3399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5806    1.4649    1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5660   -0.0137    0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2601    1.4780   -0.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4328    2.8506   -0.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3761   -5.2518   -0.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9634   -4.8035    1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7036   -3.5613   -1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2063    1.8439    1.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3100    0.0838    1.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    1.0640   -2.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6163    2.5047   -1.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2137   -0.9368    1.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4367    1.9895   -0.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4199    0.7131   -1.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7568   -1.4640   -0.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  1  1  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  1  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 15  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 11  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10  8  2  0  0  0  0
 11 14  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 14 31  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <ID>
Z2735692823

>  <Barcode>
0110705926

>  <Well>
C02

>  <Plate_ID>
816280-01

>  <MW>
238.72

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H15ClN2O/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
