REMARK Name = BDB016762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.139 1.208 -2.077 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.008 1.812 -0.812 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.777 1.730 -0.151 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.666 1.095 -0.688 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.643 1.243 0.299 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.092 1.918 1.368 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.782 0.510 -1.962 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.371 2.193 1.069 0.00 0.00 -0.276 N ATOM 9 H LIG 1 2.921 2.707 1.747 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.012 0.580 -2.634 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.437 -1.627 0.845 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.012 -1.053 -0.362 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.841 -0.159 -1.023 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.713 0.619 -2.303 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.451 1.275 -2.825 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.033 1.348 -2.421 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.780 1.020 -1.303 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.710 1.375 -1.147 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.354 2.085 -3.338 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.022 0.047 -3.507 0.00 0.00 +0.031 C ATOM 21 C LIG 1 8.097 0.130 -0.471 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.551 -0.417 0.710 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.701 -1.306 1.375 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.889 -3.084 2.647 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.532 -2.487 1.407 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.695 0.740 0.172 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -1.655 0.873 1.104 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -3.019 0.346 0.972 0.00 0.00 -0.022 A ATOM 29 C LIG 1 -3.726 0.396 -0.234 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -5.030 -0.091 -0.301 0.00 0.00 +0.128 A ATOM 31 F LIG 1 -5.676 -0.031 -1.475 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -5.670 -0.624 0.820 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -4.964 -0.664 2.030 0.00 0.00 +0.008 A ATOM 34 C LIG 1 -3.656 -0.175 2.105 0.00 0.00 +0.008 A BRANCH 32 35 ATOM 35 C LIG 1 -7.078 -1.163 0.720 0.00 0.00 +0.122 C BRANCH 35 36 ATOM 36 N LIG 1 -8.002 -0.553 1.693 0.00 0.00 -0.294 NA ATOM 37 C LIG 1 -8.290 0.869 1.393 0.00 0.00 +0.113 C ATOM 38 C LIG 1 -9.214 1.085 0.182 0.00 0.00 +0.175 C ATOM 39 O LIG 1 -10.444 0.366 0.331 0.00 0.00 -0.377 OA ATOM 40 C LIG 1 -10.197 -1.032 0.520 0.00 0.00 +0.175 C ATOM 41 C LIG 1 -9.290 -1.281 1.737 0.00 0.00 +0.113 C ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6