REMARK Name = BDB020764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.589 1.046 0.367 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.265 -0.144 0.486 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.271 -1.395 -0.167 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.439 -0.040 1.177 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.734 1.209 1.799 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.917 2.339 1.700 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -1.497 3.378 2.407 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -2.679 2.874 2.994 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -2.801 1.557 2.611 0.00 0.00 +0.092 A ATOM 10 C LIG 1 0.281 2.221 0.944 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -0.930 4.704 2.528 0.00 0.00 -0.008 A ATOM 12 C LIG 1 -0.865 5.577 1.459 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -1.327 5.446 0.049 0.00 0.00 +0.058 C ATOM 14 C LIG 1 -1.324 6.931 -0.368 0.00 0.00 +0.107 C ATOM 15 N LIG 1 -0.292 7.588 0.431 0.00 0.00 -0.329 N ATOM 16 H LIG 1 -0.356 8.576 0.650 0.00 0.00 +0.147 HD ATOM 17 C LIG 1 -0.315 6.841 1.638 0.00 0.00 +0.122 A ATOM 18 N LIG 1 0.133 7.312 2.804 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 0.059 6.449 3.844 0.00 0.00 +0.113 A ATOM 20 C LIG 1 -0.453 5.156 3.760 0.00 0.00 +0.028 A ENDBRANCH 7 11 BRANCH 1 23 ATOM 21 N LIG 1 2.969 0.883 0.361 0.00 0.00 -0.307 N ATOM 22 H LIG 1 2.852 0.696 1.352 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 1.853 1.038 -0.421 0.00 0.00 +0.245 C ATOM 24 O LIG 1 1.850 1.131 -1.641 0.00 0.00 -0.270 OA BRANCH 21 25 ATOM 25 C LIG 1 4.271 0.609 -0.202 0.00 0.00 +0.149 C BRANCH 25 27 ATOM 26 C LIG 1 4.756 -1.622 -1.283 0.00 0.00 +0.132 A ATOM 27 C LIG 1 4.524 -0.866 -0.195 0.00 0.00 +0.075 A ATOM 28 C LIG 1 4.561 -1.541 1.137 0.00 0.00 +0.257 A ATOM 29 O LIG 1 4.402 -0.919 2.184 0.00 0.00 -0.267 OA ATOM 30 N LIG 1 4.774 -2.898 1.136 0.00 0.00 -0.326 N ATOM 31 H LIG 1 4.780 -3.337 2.050 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 4.939 -3.661 0.005 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.109 -5.136 0.191 0.00 0.00 +0.063 C ATOM 34 C LIG 1 4.928 -3.055 -1.192 0.00 0.00 +0.067 A BRANCH 26 36 ATOM 35 C LIG 1 6.055 -0.914 -3.071 0.00 0.00 +0.277 C ATOM 36 O LIG 1 4.736 -1.108 -2.562 0.00 0.00 -0.495 OA ENDBRANCH 26 36 ENDBRANCH 25 27 ENDBRANCH 21 25 ENDBRANCH 1 23 BRANCH 4 37 ATOM 37 C LIG 1 -2.476 -1.169 1.323 0.00 0.00 +0.101 C ATOM 38 C LIG 1 -2.058 -2.024 2.535 0.00 0.00 +0.031 C BRANCH 37 39 ATOM 39 N LIG 1 -2.696 -1.966 0.095 0.00 0.00 -0.292 NA ATOM 40 C LIG 1 -3.216 -1.171 -1.030 0.00 0.00 +0.100 C ATOM 41 C LIG 1 -3.246 -1.980 -2.357 0.00 0.00 +0.100 C ATOM 42 N LIG 1 -3.417 -3.438 -2.195 0.00 0.00 -0.292 NA ATOM 43 C LIG 1 -4.202 -3.731 -0.992 0.00 0.00 +0.100 C ATOM 44 C LIG 1 -3.552 -3.154 0.297 0.00 0.00 +0.100 C BRANCH 42 45 ATOM 45 C LIG 1 -3.979 -4.084 -3.404 0.00 0.00 +0.198 C BRANCH 45 46 ATOM 46 C LIG 1 -3.211 -3.937 -4.734 0.00 0.00 +0.402 C ATOM 47 F LIG 1 -3.820 -4.666 -5.702 0.00 0.00 -0.169 F ATOM 48 F LIG 1 -3.188 -2.654 -5.161 0.00 0.00 -0.169 F ATOM 49 F LIG 1 -1.938 -4.376 -4.641 0.00 0.00 -0.169 F ENDBRANCH 45 46 ENDBRANCH 42 45 ENDBRANCH 37 39 ENDBRANCH 4 37 TORSDOF 9