REMARK Name = BDB037850 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.056 -2.004 -0.559 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.820 -0.960 -0.018 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.296 0.241 0.419 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.408 1.101 0.582 0.00 0.00 +0.104 A ATOM 5 N LIG 1 -3.551 0.458 0.303 0.00 0.00 -0.166 NA ATOM 6 C LIG 1 0.167 0.467 0.574 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.888 -0.899 0.625 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.197 -0.850 0.144 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.344 -1.895 -0.432 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.129 -2.607 -1.070 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.612 1.403 -0.543 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.366 1.160 -1.907 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.827 2.043 -2.885 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.545 3.171 -2.511 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.990 4.014 -3.453 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.814 3.432 -1.176 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.352 2.551 -0.197 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.185 -1.855 0.340 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.537 -1.537 0.141 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -6.523 -2.501 0.361 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.169 -3.775 0.800 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.830 -4.087 1.031 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.837 -3.128 0.811 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.344 -0.811 0.492 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.762 -1.423 -0.203 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.119 -0.197 1.445 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.645 0.335 2.442 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.589 -0.218 1.221 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.141 -0.266 -0.067 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.536 -0.277 -0.244 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.366 -0.216 0.887 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.817 -0.152 2.169 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.433 -0.148 2.335 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.132 -0.304 -1.631 0.00 0.00 +0.417 C ATOM 35 F LIG 1 6.349 -0.960 -2.531 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.322 0.945 -2.136 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.347 -0.918 -1.678 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.484 -2.346 -2.983 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.554 -2.935 -1.579 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.395 2.557 0.954 0.00 0.00 +0.234 C ATOM 41 F LIG 1 -2.146 3.325 -0.154 0.00 0.00 -0.237 F BRANCH 40 42 ATOM 42 C LIG 1 -3.709 3.052 1.574 0.00 0.00 +0.156 C BRANCH 42 43 ATOM 43 N LIG 1 -3.581 4.490 1.994 0.00 0.00 -0.280 N ATOM 44 H LIG 1 -3.273 5.074 1.205 0.00 0.00 +0.158 HD BRANCH 43 45 ATOM 45 C LIG 1 -4.393 5.042 2.904 0.00 0.00 +0.166 C ATOM 46 N LIG 1 -5.099 5.520 3.684 0.00 0.00 -0.174 NA ENDBRANCH 43 45 ENDBRANCH 42 43 ENDBRANCH 40 42 ENDBRANCH 4 40 TORSDOF 10