REMARK Name = BDB009485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.500 -1.733 -0.029 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.622 -2.621 -1.095 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.405 -2.845 -1.927 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.817 -3.296 -1.313 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.897 -3.095 -0.450 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.788 -2.217 0.641 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.571 -1.551 0.856 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 0.706 0.148 -1.982 0.00 0.00 +0.132 C ATOM 9 N LIG 1 1.361 -0.242 -0.739 0.00 0.00 -0.297 N ATOM 10 C LIG 1 0.771 -1.039 0.246 0.00 0.00 +0.249 C ATOM 11 O LIG 1 1.247 -1.185 1.371 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 2.725 0.280 -0.525 0.00 0.00 +0.079 C ATOM 13 C LIG 1 2.796 1.297 0.633 0.00 0.00 +0.041 C ATOM 14 C LIG 1 3.941 0.987 1.589 0.00 0.00 +0.110 C ATOM 15 N LIG 1 5.182 0.790 0.843 0.00 0.00 -0.297 N ATOM 16 C LIG 1 6.149 1.801 0.882 0.00 0.00 +0.250 C ATOM 17 O LIG 1 5.935 2.879 1.434 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 5.162 -0.274 -0.163 0.00 0.00 +0.110 C ATOM 19 C LIG 1 3.766 -0.847 -0.403 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 7.428 1.565 0.228 0.00 0.00 +0.074 A ATOM 21 C LIG 1 8.204 2.534 -0.382 0.00 0.00 +0.118 A ATOM 22 N LIG 1 9.328 1.911 -0.833 0.00 0.00 -0.284 N ATOM 23 H LIG 1 10.117 2.316 -1.327 0.00 0.00 +0.188 HD ATOM 24 N LIG 1 9.355 0.598 -0.555 0.00 0.00 -0.182 NA ATOM 25 C LIG 1 8.219 0.399 0.120 0.00 0.00 +0.147 A ENDBRANCH 16 20 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 C LIG 1 -3.944 -2.030 1.600 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -5.232 -1.594 0.913 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -5.427 -0.138 0.586 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -4.442 0.809 0.846 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -3.496 0.438 0.839 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -4.546 2.152 0.283 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -5.995 2.625 0.363 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -6.943 1.620 -0.305 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.606 0.195 0.039 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -7.614 -0.846 -0.262 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -8.692 -0.570 -0.779 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -7.265 -2.131 0.056 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -7.947 -2.857 -0.135 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -6.104 -2.523 0.648 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5