REMARK Name = BDB063111 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.851 0.989 -0.551 0.00 0.00 +0.063 C ATOM 2 C LIG 1 -1.438 0.602 -0.302 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -0.881 -0.619 0.047 0.00 0.00 -0.022 A ATOM 4 C LIG 1 -1.597 -1.904 0.268 0.00 0.00 +0.046 C ATOM 5 C LIG 1 0.534 -0.419 0.158 0.00 0.00 +0.003 A ATOM 6 C LIG 1 0.792 0.920 -0.127 0.00 0.00 +0.047 A ATOM 7 C LIG 1 2.083 1.464 -0.111 0.00 0.00 +0.026 A ATOM 8 C LIG 1 3.142 0.609 0.208 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.917 -0.734 0.498 0.00 0.00 +0.001 A ATOM 10 C LIG 1 1.620 -1.260 0.477 0.00 0.00 +0.010 A ATOM 11 N LIG 1 -0.416 1.513 -0.402 0.00 0.00 -0.358 N ATOM 12 H LIG 1 -0.527 2.487 -0.642 0.00 0.00 +0.166 HD ENDROOT TORSDOF 0