REMARK Name = BDB023924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.779 4.979 0.837 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -3.801 4.125 0.211 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -2.962 4.582 -0.110 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -4.218 3.095 -0.594 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.196 2.363 -1.175 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -1.846 2.243 -0.586 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -1.619 0.823 -0.172 0.00 0.00 +0.019 A ATOM 8 C LIG 1 -0.577 0.231 0.587 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -0.751 -1.096 0.675 0.00 0.00 -0.170 NA ATOM 10 N LIG 1 -1.907 -1.353 0.025 0.00 0.00 -0.264 N ATOM 11 C LIG 1 -2.439 -0.230 -0.537 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -3.671 -0.074 -1.365 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -3.582 1.282 -2.099 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -5.407 2.861 -0.795 0.00 0.00 -0.253 OA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 0.582 0.874 1.197 0.00 0.00 +0.047 A ATOM 16 C LIG 1 1.913 0.525 0.830 0.00 0.00 +0.012 A ATOM 17 C LIG 1 2.996 1.184 1.455 0.00 0.00 -0.014 A ATOM 18 C LIG 1 4.312 0.856 1.095 0.00 0.00 +0.037 A ATOM 19 C LIG 1 4.537 -0.108 0.119 0.00 0.00 +0.075 A ATOM 20 N LIG 1 3.527 -0.751 -0.503 0.00 0.00 -0.254 NA ATOM 21 C LIG 1 2.748 2.164 2.430 0.00 0.00 +0.011 A ATOM 22 C LIG 1 1.444 2.499 2.785 0.00 0.00 +0.039 A ATOM 23 C LIG 1 2.261 -0.434 -0.134 0.00 0.00 +0.120 A ATOM 24 C LIG 1 0.377 1.857 2.170 0.00 0.00 +0.133 A ATOM 25 F LIG 1 -0.865 2.213 2.534 0.00 0.00 -0.205 F BRANCH 19 26 ATOM 26 C LIG 1 5.869 -0.495 -0.311 0.00 0.00 +0.038 A ATOM 27 C LIG 1 7.074 -0.010 0.161 0.00 0.00 +0.118 A ATOM 28 N LIG 1 8.050 -0.665 -0.535 0.00 0.00 -0.274 N ATOM 29 C LIG 1 9.477 -0.503 -0.394 0.00 0.00 +0.172 C ATOM 30 N LIG 1 7.574 -1.543 -1.433 0.00 0.00 -0.179 NA ATOM 31 C LIG 1 6.248 -1.441 -1.293 0.00 0.00 +0.144 A ENDBRANCH 19 26 ENDBRANCH 8 15 BRANCH 10 32 ATOM 32 C LIG 1 -2.364 -2.737 -0.031 0.00 0.00 +0.112 C ATOM 33 C LIG 1 -2.179 -3.353 -1.418 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -2.579 -4.825 -1.408 0.00 0.00 +0.162 C ATOM 35 O LIG 1 -3.586 -5.139 -0.446 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -4.499 -4.074 -0.215 0.00 0.00 +0.162 C ATOM 37 C LIG 1 -3.788 -2.939 0.509 0.00 0.00 +0.055 C ENDBRANCH 10 32 TORSDOF 3