REMARK Name = BDB009347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.187 1.099 2.193 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.160 -0.004 2.965 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.440 -0.253 3.278 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.823 -0.869 3.436 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.166 -0.625 3.137 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.534 0.484 2.358 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.533 1.360 1.907 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.765 3.205 2.115 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.839 2.043 1.721 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.812 1.594 0.839 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.870 2.522 0.428 0.00 0.00 +0.127 C ATOM 12 C LIG 1 4.177 1.797 0.059 0.00 0.00 +0.124 C ATOM 13 N LIG 1 3.973 0.755 -0.984 0.00 0.00 -0.325 N ATOM 14 C LIG 1 2.575 0.311 -1.165 0.00 0.00 +0.124 C ATOM 15 C LIG 1 1.802 0.285 0.166 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 5.009 -0.195 -1.021 0.00 0.00 +0.066 A ATOM 17 C LIG 1 4.852 -1.571 -0.753 0.00 0.00 +0.147 A ATOM 18 F LIG 1 3.659 -2.071 -0.394 0.00 0.00 -0.203 F ATOM 19 C LIG 1 5.921 -2.464 -0.808 0.00 0.00 +0.078 A ATOM 20 C LIG 1 7.180 -1.990 -1.137 0.00 0.00 +0.126 A ATOM 21 F LIG 1 8.213 -2.841 -1.192 0.00 0.00 -0.205 F ATOM 22 C LIG 1 7.386 -0.645 -1.407 0.00 0.00 +0.040 A ATOM 23 C LIG 1 6.307 0.242 -1.348 0.00 0.00 +0.029 A ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 24 ATOM 24 C LIG 1 -3.991 0.756 2.056 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 -4.275 0.955 0.572 0.00 0.00 +0.087 A ATOM 26 C LIG 1 -4.385 -0.253 -0.319 0.00 0.00 +0.059 A ATOM 27 N LIG 1 -4.174 -1.541 0.165 0.00 0.00 -0.342 N ATOM 28 H LIG 1 -3.533 -1.583 0.954 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 -4.021 -2.657 -0.764 0.00 0.00 +0.102 C ATOM 30 C LIG 1 -5.021 -2.506 -1.907 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -4.879 -1.139 -2.589 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -4.704 -0.019 -1.601 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -4.874 1.367 -2.091 0.00 0.00 +0.270 A ATOM 34 O LIG 1 -5.146 1.608 -3.262 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -4.691 2.359 -1.164 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -4.807 3.316 -1.479 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -4.412 2.180 0.156 0.00 0.00 -0.174 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4