
    alatis_output_mol

 25 25  0  0  0  0  0  0  0  0999 V2000
   -0.1514    0.1480    1.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3648   -0.4920   -1.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8046   -0.3351   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2119    0.3734   -2.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6413    0.5439   -0.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6722   -1.6770    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242   -0.8513    0.8876 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6417   -0.8347   -0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3340    0.9035   -2.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976   -1.8015    1.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4332    2.1412   -2.9271 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4341   -1.2202    2.2496 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3183   -3.0253    1.5338 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6340    0.7542    2.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8352    0.8564    1.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6861   -0.3687    2.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4823   -0.8879   -2.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0446   -0.6001    1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795    0.6391   -3.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5157    0.9522   -0.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2289   -2.2812    0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2055   -2.4042   -0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9984   -0.2968    0.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003   -0.2293    2.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0676   -1.8375    2.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  2  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  2  1  0  0  0  0
  4 19  1  0  0  0  0
  5  3  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID>
Z1551999220

>  <Barcode>
0110705831

>  <Well>
C01

>  <Plate_ID>
816280-02

>  <MW>
242.12

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H12BrNO/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13)/t7-/m1/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
