class molecule:
    atoms = None
    bonds = None
    def __init__(self, filename):
        self.atoms = []
        with open(filename, "r") as molfile:
            for i in range(4):
                line = molfile.readline()
            na = int(line[0:3])
            for i in range(na):
                line = molfile.readline()
                x = float(line[0:10])
                y = float(line[10:20])
                z = float(line[20:30])
                symbol = line[31:34].strip()
                self.atoms.append(atom(symbol,x,y,z)) 
    def print_atoms(self):
        for atom in self.atoms:
            print(atom)
    
class atom:
    symbol = ""
    x = 0.0
    y = 0.0
    z = 0.0
    def __init__(self, symbol, x, y, z):
        self.symbol = symbol
        self.x = x
        self.y = y
        self.z = z
    def __str__(self):
        return("{:3s} {:.3f} {:.3f} {:.3f}".format(self.symbol, self.x, self.y, self.z))

class bond:
    id1 = 0
    id2 = 0
    bondtype = 0

m1 = molecule("caffeine.mol")
m1.print_atoms()