REMARK Name = BDB037891 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.742 -0.881 0.170 0.00 0.00 +0.074 A ATOM 2 N LIG 1 2.124 -2.068 0.341 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.819 -2.146 -0.015 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.036 -1.109 -0.545 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.694 0.112 -0.736 0.00 0.00 -0.002 A ATOM 6 C LIG 1 2.055 0.211 -0.358 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.876 -0.779 1.433 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.937 -1.592 2.071 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.309 -2.365 3.103 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.604 -1.626 1.662 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.154 -0.835 0.590 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.114 -0.032 -0.046 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.777 0.725 -1.102 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.453 0.004 0.362 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 9.128 -0.015 1.298 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.150 -0.833 1.927 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.289 -1.405 -0.849 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.371 -0.553 -0.317 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.651 -1.436 -0.155 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -3.975 -2.040 -1.559 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -2.787 -2.748 -2.225 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.522 -1.890 -2.215 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.369 -2.564 0.782 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -2.626 -3.124 0.348 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -2.882 -2.197 1.605 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.884 -0.623 0.339 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -4.740 -0.028 1.743 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -3.754 0.901 1.775 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -5.891 0.642 2.039 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -5.213 0.422 -0.603 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -5.875 0.988 -0.160 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.066 1.341 -1.351 0.00 0.00 +0.183 C BRANCH 32 33 ATOM 33 N LIG 1 -0.418 2.304 -0.369 0.00 0.00 -0.241 N ATOM 34 C LIG 1 -1.613 2.973 -0.433 0.00 0.00 +0.177 A ATOM 35 C LIG 1 -1.642 3.801 0.682 0.00 0.00 +0.127 A ATOM 36 N LIG 1 -2.705 4.601 0.966 0.00 0.00 -0.249 NA ATOM 37 C LIG 1 -3.699 4.487 0.053 0.00 0.00 +0.131 A ATOM 38 C LIG 1 -3.642 3.659 -1.063 0.00 0.00 +0.133 A ATOM 39 C LIG 1 -0.404 3.593 1.315 0.00 0.00 +0.164 A ATOM 40 N LIG 1 -2.586 2.864 -1.367 0.00 0.00 -0.233 NA ATOM 41 N LIG 1 0.372 2.715 0.664 0.00 0.00 -0.175 NA ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9