REMARK Name = BDB043048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.309 -4.403 -0.122 0.00 0.00 +0.016 A ATOM 2 C LIG 1 -0.620 -3.057 -0.131 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.576 -2.360 0.098 0.00 0.00 -0.200 N ATOM 4 C LIG 1 0.589 -0.937 0.139 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -0.584 -0.300 -0.038 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.818 -1.117 -0.259 0.00 0.00 +0.124 A ATOM 7 N LIG 1 1.621 -3.233 0.249 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.816 -2.425 -0.312 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 1.076 -4.440 0.116 0.00 0.00 +0.140 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.916 -5.976 0.971 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -1.232 -5.552 -0.320 0.00 0.00 +0.037 C ENDBRANCH 1 11 BRANCH 6 12 ATOM 12 N LIG 1 -3.054 -0.533 -0.436 0.00 0.00 -0.329 N ATOM 13 H LIG 1 -3.747 -1.284 -0.471 0.00 0.00 +0.147 HD BRANCH 12 14 ATOM 14 C LIG 1 -3.510 0.591 0.371 0.00 0.00 +0.109 C BRANCH 14 15 ATOM 15 C LIG 1 -4.878 1.090 -0.125 0.00 0.00 +0.037 C ATOM 16 C LIG 1 -4.789 1.698 -1.540 0.00 0.00 +0.133 C ATOM 17 C LIG 1 -6.120 2.361 -1.937 0.00 0.00 +0.112 C ATOM 18 N LIG 1 -6.591 3.347 -0.958 0.00 0.00 -0.314 NA ATOM 19 H LIG 1 -5.919 4.112 -0.903 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -6.749 2.734 0.359 0.00 0.00 +0.081 C ATOM 21 C LIG 1 -5.439 2.129 0.859 0.00 0.00 +0.023 C BRANCH 16 22 ATOM 22 O LIG 1 -4.481 0.693 -2.504 0.00 0.00 -0.390 OA ATOM 23 H LIG 1 -3.706 0.197 -2.170 0.00 0.00 +0.210 HD ENDBRANCH 16 22 ENDBRANCH 14 15 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 4 24 ATOM 24 N LIG 1 1.767 -0.222 0.356 0.00 0.00 -0.323 N ATOM 25 H LIG 1 1.728 0.775 0.143 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.130 -0.728 0.230 0.00 0.00 +0.160 C BRANCH 26 27 ATOM 27 C LIG 1 4.180 0.351 0.234 0.00 0.00 +0.077 A ATOM 28 N LIG 1 3.850 1.659 -0.069 0.00 0.00 -0.231 NA ATOM 29 C LIG 1 4.974 2.336 0.023 0.00 0.00 +0.138 A ATOM 30 N LIG 1 6.047 1.517 0.379 0.00 0.00 -0.295 N ATOM 31 C LIG 1 7.356 1.991 0.545 0.00 0.00 +0.128 A ATOM 32 C LIG 1 7.586 3.309 0.347 0.00 0.00 +0.031 A ATOM 33 C LIG 1 6.491 4.187 -0.025 0.00 0.00 +0.006 A ATOM 34 C LIG 1 5.240 3.718 -0.180 0.00 0.00 +0.047 A ATOM 35 C LIG 1 5.528 0.249 0.511 0.00 0.00 +0.118 A BRANCH 31 36 ATOM 36 C LIG 1 8.419 1.022 0.927 0.00 0.00 +0.433 C ATOM 37 F LIG 1 8.159 0.422 2.116 0.00 0.00 -0.164 F ATOM 38 F LIG 1 9.638 1.611 1.053 0.00 0.00 -0.164 F ATOM 39 F LIG 1 8.564 0.034 0.008 0.00 0.00 -0.164 F ENDBRANCH 31 36 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 4 24 TORSDOF 9