REMARK Name = BDB037480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.036 -2.170 0.272 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.595 -0.983 0.774 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.892 0.185 0.997 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.761 1.039 1.734 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.921 0.404 1.974 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.523 0.361 0.575 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.219 -1.010 0.560 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.900 -0.684 1.157 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.351 -2.177 0.023 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.915 -3.135 -0.524 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.458 1.118 -0.749 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.874 2.464 -0.772 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.843 3.207 -1.953 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.397 2.611 -3.123 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.371 3.319 -4.260 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.018 1.286 -3.134 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.013 0.540 -1.952 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.144 -1.215 0.733 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.236 -1.198 1.612 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -6.474 -1.688 1.193 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.631 -2.166 -0.108 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.557 -2.140 -0.997 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.316 -1.656 -0.582 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 C LIG 1 -1.453 2.392 2.253 0.00 0.00 +0.268 C ATOM 25 N LIG 1 -2.494 3.311 2.479 0.00 0.00 -0.286 N ATOM 26 C LIG 1 -2.127 4.669 2.846 0.00 0.00 +0.133 C ATOM 27 O LIG 1 -0.281 2.714 2.454 0.00 0.00 -0.268 OA BRANCH 25 28 ATOM 28 C LIG 1 -3.880 3.112 2.036 0.00 0.00 +0.226 C BRANCH 28 29 ATOM 29 C LIG 1 -4.026 3.106 0.569 0.00 0.00 +0.082 C ATOM 30 N LIG 1 -4.140 3.112 -0.587 0.00 0.00 -0.195 NA ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 4 24 BRANCH 7 31 ATOM 31 N LIG 1 2.504 -1.028 -0.148 0.00 0.00 -0.299 N ATOM 32 H LIG 1 2.650 -1.818 -0.769 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 3.594 -0.337 0.323 0.00 0.00 +0.245 C ATOM 34 O LIG 1 3.556 0.372 1.322 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 4.869 -0.516 -0.425 0.00 0.00 +0.037 A ATOM 36 C LIG 1 6.076 -0.312 0.257 0.00 0.00 +0.025 A ATOM 37 C LIG 1 7.307 -0.465 -0.403 0.00 0.00 +0.056 A ATOM 38 C LIG 1 7.307 -0.803 -1.765 0.00 0.00 +0.012 A ATOM 39 C LIG 1 6.106 -0.991 -2.451 0.00 0.00 +0.001 A ATOM 40 C LIG 1 4.888 -0.846 -1.785 0.00 0.00 +0.013 A BRANCH 37 41 ATOM 41 C LIG 1 8.602 -0.228 0.334 0.00 0.00 +0.417 C ATOM 42 F LIG 1 9.657 -0.896 -0.213 0.00 0.00 -0.166 F ATOM 43 F LIG 1 8.553 -0.620 1.638 0.00 0.00 -0.166 F ATOM 44 F LIG 1 8.959 1.085 0.348 0.00 0.00 -0.166 F ENDBRANCH 37 41 ENDBRANCH 33 35 ENDBRANCH 7 31 BRANCH 1 46 ATOM 45 C LIG 1 -1.875 -3.994 -1.238 0.00 0.00 +0.025 C ATOM 46 C LIG 1 -1.717 -3.465 0.183 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 9