For question 2: ("Why does a single charge away from the origin have a dipole term?")
Let's say you have a charge of +3 at point (5,6,7). Using the superposition principle, you can imagine that this is the superposition of two charge distributions
CHARGE DISTRIBUTION A: A charge of +3 at point (0,0,0)
CHARGE DISTRIBUTION B: A charge of -3 at point (0,0,0) and a charge of +3 at (5,6,7).
Charge distribution A: A charge of +3 at point (0,0,0)
Charge distribution B: A charge of -3 at point (0,0,0) and a charge of +3 at (5,6,7).
Obviously, when you add these together, you get the real charge distribution:
(REAL CHARGE DISTRIBUTION) = (CHARGE DISTRIBUTION A) + (CHARGE DISTRIBUTION B).$$ (\text{real charge distribution}) = (\text{charge distribution A}) + (\text{charge distribution B}). $$
By the superposition principle:
(REAL E-FIELD) = (E-FIELD OF CHARGE DISTRIBUTION A) + (E-FIELD OF CHARGE DISTRIBUTION B) $$ (\text{Real }\mathbf E\text{ field}) = (\mathbf E\text{ field of charge distribution A}) + (\mathbf E\text{ field of charge distribution B}). $$
And, since the multipole expansion also obeys the superposition principle:
(REAL MONOPOLE TERM) = (MONOPOLE TERM OF CHARGE DIST A) + (MONOPOLE TERM OF CHARGE DIST B)
(REAL DIPOLE TERM) = (DIPOLE TERM OF CHARGE DIST A) + (DIPOLE TERM OF CHARGE DIST B)
etc\begin{align} (\text{real monopole term}) & = (\text{monopole term of distribution A}) + (\text{monopole term of distribution B}),\\ (\text{real dipole term}) & = (\text{dipole term of distribution A}) + (\text{dipole term of distribution B}),\\ (\text{real quadrupole term}) & = (\text{quadrupole term of distribution A}) + (\text{quadrupole term of distribution B}), \end{align} and so on.
The field of charge distribution A is a pure monopole field, while the field of charge distribution B has no monopole term, only dipole, quadrupole, etc. Therefore,
REAL MONOPOLE TERM = MONOPOLE TERM OF CHARGE DIST A
REAL DIPOLE TERM = DIPOLE TERM OF CHARGE DIST B
REAL QUADRUPOLE TERM = QUADRUPOLE TERM OF CHARGE DIST B
etc \begin{align} (\text{real monopole term}) & = (\text{monopole term of distribution A}), \\ (\text{real dipole term}) & = (\text{dipole term of distribution B}),\\ (\text{real quadrupole term}) & = (\text{quadrupole term of distribution B}), \end{align} and so on.
Even though it's unintuitive that the real charge distribution has a dipole component, it is not at all surprising that charge distribution B has a dipole component: It is two equal and opposite separated charges! And charge distribution B is exactly what you get after subtracting off the monopole component to look at the subleading terms of the expansion.
[edited for clarity]