REMARK Name = BDB064925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.772 0.567 -0.041 0.00 0.00 +0.068 A ATOM 2 C LIG 1 0.564 1.235 -0.279 0.00 0.00 +0.095 A ATOM 3 N LIG 1 0.310 2.598 -0.591 0.00 0.00 -0.252 NA ATOM 4 C LIG 1 -0.988 2.678 -0.688 0.00 0.00 +0.120 C ATOM 5 C LIG 1 -1.643 1.396 -0.448 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -2.953 0.954 -0.429 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -3.113 -0.422 -0.134 0.00 0.00 +0.072 A ATOM 8 C LIG 1 -4.407 -0.922 -0.103 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -5.521 -0.111 -0.351 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -5.351 1.239 -0.640 0.00 0.00 +0.001 A ATOM 11 N LIG 1 -2.070 -1.262 0.116 0.00 0.00 -0.245 NA ATOM 12 C LIG 1 -0.797 -0.779 0.098 0.00 0.00 +0.096 A ATOM 13 C LIG 1 0.396 -1.494 0.329 0.00 0.00 +0.066 A ATOM 14 N LIG 1 0.273 -2.862 0.709 0.00 0.00 -0.341 N ATOM 15 H LIG 1 -0.633 -3.223 0.394 0.00 0.00 +0.146 HD ATOM 16 C LIG 1 1.417 -3.664 0.327 0.00 0.00 +0.109 C ATOM 17 C LIG 1 2.649 -3.112 0.998 0.00 0.00 +0.098 C ATOM 18 C LIG 1 2.877 -1.678 0.587 0.00 0.00 +0.168 C ATOM 19 O LIG 1 4.031 -1.257 0.558 0.00 0.00 -0.292 OA ATOM 20 C LIG 1 -4.069 1.779 -0.680 0.00 0.00 +0.010 A ATOM 21 C LIG 1 -0.616 0.550 -0.196 0.00 0.00 +0.039 A ATOM 22 C LIG 1 1.667 -0.827 0.289 0.00 0.00 +0.063 A ENDROOT BRANCH 1 24 ATOM 23 C LIG 1 3.438 1.699 1.226 0.00 0.00 +0.129 C ATOM 24 N LIG 1 3.016 1.226 -0.096 0.00 0.00 -0.334 N ATOM 25 C LIG 1 3.190 2.214 -1.160 0.00 0.00 +0.129 C ENDBRANCH 1 24 TORSDOF 1