REMARK Name = BDB027267 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.109 1.256 -0.584 0.00 0.00 -0.003 A ATOM 2 C LIG 1 1.282 1.236 0.549 0.00 0.00 +0.053 A ATOM 3 C LIG 1 1.514 2.259 1.483 0.00 0.00 +0.134 A ATOM 4 N LIG 1 2.429 3.252 1.380 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 3.202 3.271 0.277 0.00 0.00 +0.071 A ATOM 6 C LIG 1 3.062 2.298 -0.711 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.182 4.375 0.201 0.00 0.00 +0.003 A ATOM 8 C LIG 1 5.425 4.231 -0.442 0.00 0.00 +0.051 A ATOM 9 C LIG 1 6.327 5.293 -0.496 0.00 0.00 +0.159 A ATOM 10 F LIG 1 7.502 5.119 -1.118 0.00 0.00 -0.202 F ATOM 11 C LIG 1 6.020 6.514 0.087 0.00 0.00 +0.158 A ATOM 12 F LIG 1 6.892 7.530 0.030 0.00 0.00 -0.202 F ATOM 13 C LIG 1 4.807 6.689 0.736 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.899 5.625 0.793 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.277 0.321 0.844 0.00 0.00 -0.326 N ATOM 16 C LIG 1 -0.709 -0.079 -0.186 0.00 0.00 +0.136 C ATOM 17 C LIG 1 -2.046 -0.483 0.524 0.00 0.00 +0.110 C ATOM 18 C LIG 1 -1.710 -1.645 1.491 0.00 0.00 +0.034 C ATOM 19 C LIG 1 -0.581 -1.294 2.470 0.00 0.00 +0.021 C ATOM 20 C LIG 1 0.665 -0.764 1.757 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 -3.046 -0.956 -0.580 0.00 0.00 +0.237 C ATOM 22 N LIG 1 -4.401 -1.142 -0.305 0.00 0.00 -0.300 N ATOM 23 C LIG 1 -5.269 -1.561 -1.412 0.00 0.00 +0.108 C ATOM 24 C LIG 1 -6.652 -0.925 -1.331 0.00 0.00 +0.019 C ATOM 25 C LIG 1 -7.364 -1.265 -0.024 0.00 0.00 +0.003 C ATOM 26 C LIG 1 -6.393 -1.557 1.118 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -5.074 -0.808 0.953 0.00 0.00 +0.108 C ATOM 28 O LIG 1 -2.605 -1.238 -1.704 0.00 0.00 -0.274 OA ENDBRANCH 17 21 BRANCH 17 29 ATOM 29 N LIG 1 -2.554 0.717 1.258 0.00 0.00 -0.316 NA ATOM 30 H LIG 1 -2.896 0.436 2.174 0.00 0.00 +0.119 HD ATOM 31 H LIG 1 -1.731 1.296 1.459 0.00 0.00 +0.119 HD ENDBRANCH 17 29 ENDBRANCH 2 15 BRANCH 1 32 ATOM 32 C LIG 1 2.106 0.208 -1.673 0.00 0.00 +0.161 C BRANCH 32 37 ATOM 33 C LIG 1 2.673 -4.574 -1.196 0.00 0.00 +0.147 A ATOM 34 C LIG 1 2.976 -3.218 -0.991 0.00 0.00 +0.147 A ATOM 35 N LIG 1 3.958 -2.579 -0.261 0.00 0.00 -0.231 NA ATOM 36 C LIG 1 3.738 -1.294 -0.454 0.00 0.00 +0.202 A ATOM 37 N LIG 1 2.636 -1.073 -1.239 0.00 0.00 -0.310 N ATOM 38 C LIG 1 2.148 -2.297 -1.611 0.00 0.00 +0.166 A ATOM 39 N LIG 1 1.090 -2.556 -2.394 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 0.884 -3.882 -2.506 0.00 0.00 +0.225 A ATOM 41 N LIG 1 1.596 -4.889 -1.952 0.00 0.00 -0.219 NA BRANCH 33 42 ATOM 42 N LIG 1 3.412 -5.611 -0.642 0.00 0.00 -0.341 N ATOM 43 H LIG 1 3.974 -5.333 0.154 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 2.884 -6.471 -0.578 0.00 0.00 +0.144 HD ENDBRANCH 33 42 ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 7