REMARK Name = BDB003387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.253 -0.857 0.473 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.391 -1.628 1.122 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.051 -0.545 0.166 0.00 0.00 +0.104 A ATOM 4 N LIG 1 1.378 0.164 -0.965 0.00 0.00 -0.310 N ATOM 5 H LIG 1 0.630 0.420 -1.595 0.00 0.00 +0.170 HD ATOM 6 C LIG 1 2.644 0.496 -1.384 0.00 0.00 +0.258 A ATOM 7 O LIG 1 2.845 1.117 -2.422 0.00 0.00 -0.267 OA ATOM 8 C LIG 1 3.759 0.053 -0.517 0.00 0.00 +0.047 A ATOM 9 C LIG 1 3.455 -0.686 0.632 0.00 0.00 -0.010 A ATOM 10 C LIG 1 4.497 -1.119 1.458 0.00 0.00 +0.009 A ATOM 11 C LIG 1 5.823 -0.813 1.135 0.00 0.00 +0.001 A ATOM 12 C LIG 1 6.116 -0.075 -0.014 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.083 0.360 -0.844 0.00 0.00 +0.014 A ATOM 14 C LIG 1 2.057 -0.989 0.945 0.00 0.00 +0.050 A ENDBRANCH 1 3 BRANCH 1 17 ATOM 15 C LIG 1 -2.766 1.696 -0.644 0.00 0.00 +0.122 A ATOM 16 C LIG 1 -1.543 1.109 -0.303 0.00 0.00 +0.072 A ATOM 17 C LIG 1 -1.471 -0.208 0.169 0.00 0.00 +0.078 A ATOM 18 C LIG 1 -2.672 -0.943 0.303 0.00 0.00 +0.141 A ATOM 19 C LIG 1 -3.894 -0.357 -0.035 0.00 0.00 +0.051 A ATOM 20 C LIG 1 -3.939 0.958 -0.512 0.00 0.00 +0.049 A BRANCH 15 22 ATOM 21 C LIG 1 -3.886 3.628 -1.465 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -2.675 2.988 -1.083 0.00 0.00 -0.495 OA ENDBRANCH 15 22 BRANCH 18 23 ATOM 23 O LIG 1 -2.523 -2.221 0.793 0.00 0.00 -0.493 OA ATOM 24 C LIG 1 -3.683 -3.044 0.815 0.00 0.00 +0.277 C ENDBRANCH 18 23 ENDBRANCH 1 17 TORSDOF 4