REMARK Name = BDB038401 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.183 0.419 -1.095 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.515 -0.947 -1.277 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.563 -1.971 -1.115 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.270 -1.589 -0.769 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.059 -2.430 -0.528 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.971 -1.456 -0.185 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.472 -0.151 -0.238 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -1.019 0.922 -0.059 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.948 -0.248 -0.597 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.870 0.771 -0.754 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.298 -1.844 0.149 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -3.252 -0.910 0.580 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -4.575 -1.280 0.891 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -4.935 -2.628 0.776 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -4.002 -3.574 0.362 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.696 -3.185 0.055 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.554 -0.268 1.333 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -6.733 0.032 0.611 0.00 0.00 +0.028 A ATOM 19 C LIG 1 -7.653 0.964 1.127 0.00 0.00 +0.031 A ATOM 20 C LIG 1 -7.405 1.625 2.332 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -6.233 1.353 3.037 0.00 0.00 +0.019 A ATOM 22 C LIG 1 -5.322 0.415 2.544 0.00 0.00 +0.010 A BRANCH 18 23 ATOM 23 C LIG 1 -7.062 -0.601 -0.665 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -6.376 -0.467 -1.847 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -5.223 0.346 -2.131 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -7.038 -1.228 -2.762 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -8.085 -1.781 -2.199 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -8.110 -1.375 -0.886 0.00 0.00 -0.129 NA ENDBRANCH 18 23 BRANCH 20 29 ATOM 29 C LIG 1 -8.346 2.580 2.839 0.00 0.00 +0.099 C ATOM 30 N LIG 1 -9.100 3.360 3.251 0.00 0.00 -0.191 NA ENDBRANCH 20 29 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 31 ATOM 31 C LIG 1 2.922 -3.421 -1.294 0.00 0.00 +0.418 C ATOM 32 F LIG 1 2.113 -4.039 -2.200 0.00 0.00 -0.166 F ATOM 33 F LIG 1 4.195 -3.630 -1.724 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.788 -4.129 -0.139 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 4.240 1.491 -1.284 0.00 0.00 +0.119 C BRANCH 35 39 ATOM 36 C LIG 1 8.940 2.809 -0.560 0.00 0.00 +0.009 C ATOM 37 C LIG 1 7.811 1.897 -0.082 0.00 0.00 +0.000 C ATOM 38 C LIG 1 6.530 2.143 -0.897 0.00 0.00 +0.088 C ATOM 39 N LIG 1 5.428 1.280 -0.439 0.00 0.00 -0.298 NA ATOM 40 C LIG 1 5.128 1.533 0.981 0.00 0.00 +0.085 C ATOM 41 C LIG 1 6.351 1.270 1.859 0.00 0.00 +0.016 C ATOM 42 C LIG 1 7.546 2.103 1.412 0.00 0.00 +0.006 C ENDBRANCH 35 39 ENDBRANCH 1 35 TORSDOF 7