REMARK Name = BDB020099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.235 -1.075 -1.429 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.358 0.315 -1.327 0.00 0.00 +0.021 A ATOM 3 C LIG 1 1.590 0.906 -1.010 0.00 0.00 -0.013 A ATOM 4 C LIG 1 2.702 0.063 -0.831 0.00 0.00 +0.014 A ATOM 5 C LIG 1 2.602 -1.336 -0.945 0.00 0.00 -0.026 A ATOM 6 C LIG 1 1.356 -1.894 -1.263 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.716 2.372 -0.876 0.00 0.00 +0.024 A ATOM 8 C LIG 1 0.908 3.123 0.010 0.00 0.00 +0.137 A ATOM 9 C LIG 1 1.076 4.507 0.132 0.00 0.00 +0.084 A ATOM 10 C LIG 1 2.019 5.153 -0.658 0.00 0.00 +0.127 A ATOM 11 F LIG 1 2.174 6.478 -0.544 0.00 0.00 -0.205 F ATOM 12 C LIG 1 2.808 4.448 -1.556 0.00 0.00 +0.039 A ATOM 13 C LIG 1 2.659 3.064 -1.661 0.00 0.00 +0.015 A BRANCH 8 14 ATOM 14 O LIG 1 0.018 2.444 0.806 0.00 0.00 -0.434 OA BRANCH 14 15 ATOM 15 C LIG 1 -1.304 2.961 0.747 0.00 0.00 +0.541 C ATOM 16 F LIG 1 -1.694 3.066 -0.548 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -2.122 2.031 1.307 0.00 0.00 -0.166 F ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 -2.160 -1.113 -1.131 0.00 0.00 -0.303 N ATOM 19 H LIG 1 -2.013 -0.379 -0.453 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 -1.074 -1.706 -1.729 0.00 0.00 +0.245 C ATOM 21 O LIG 1 -1.121 -2.695 -2.448 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.516 -1.617 -1.290 0.00 0.00 +0.125 C BRANCH 22 26 ATOM 23 C LIG 1 -5.207 0.382 3.047 0.00 0.00 +0.044 C ATOM 24 C LIG 1 -5.043 -0.786 2.122 0.00 0.00 -0.047 A ATOM 25 C LIG 1 -4.400 -0.633 0.891 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -4.221 -1.745 0.061 0.00 0.00 +0.062 A ATOM 27 N LIG 1 -4.659 -2.980 0.418 0.00 0.00 -0.258 NA ATOM 28 C LIG 1 -5.264 -3.108 1.618 0.00 0.00 +0.111 A ATOM 29 C LIG 1 -5.471 -2.058 2.495 0.00 0.00 +0.023 A ENDBRANCH 22 26 BRANCH 22 30 ATOM 30 C LIG 1 -4.339 -0.742 -2.216 0.00 0.00 +0.015 C ATOM 31 C LIG 1 -3.779 -0.216 -3.519 0.00 0.00 +0.006 C ATOM 32 C LIG 1 -4.102 0.742 -2.405 0.00 0.00 +0.006 C ENDBRANCH 22 30 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 33 ATOM 33 C LIG 1 3.806 -2.244 -0.796 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 4.763 -1.768 0.184 0.00 0.00 -0.313 N ATOM 35 C LIG 1 4.565 -1.762 1.571 0.00 0.00 +0.204 A ATOM 36 N LIG 1 3.520 -2.063 2.253 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 2.760 -2.305 1.616 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 5.798 -1.355 2.089 0.00 0.00 -0.320 N ATOM 39 C LIG 1 6.084 -1.322 3.501 0.00 0.00 +0.152 C ATOM 40 C LIG 1 6.711 -1.180 1.062 0.00 0.00 +0.106 A ATOM 41 C LIG 1 6.084 -1.428 -0.096 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 9