REMARK Name = BDB035366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.031 1.498 -2.069 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -1.723 1.205 -2.022 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -1.254 0.481 -0.980 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -2.104 0.009 0.016 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -3.486 0.276 -0.019 0.00 0.00 -0.027 A ATOM 6 C LIG 1 -3.923 1.053 -1.103 0.00 0.00 +0.048 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.130 0.230 -0.965 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.867 -0.418 0.015 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.529 -0.910 1.075 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.263 -0.419 -0.442 0.00 0.00 +0.043 A ATOM 11 C LIG 1 3.376 -0.949 0.184 0.00 0.00 +0.018 A ATOM 12 C LIG 1 4.613 -0.822 -0.460 0.00 0.00 -0.032 A ATOM 13 C LIG 1 4.683 -0.162 -1.713 0.00 0.00 +0.017 A ATOM 14 C LIG 1 3.540 0.376 -2.337 0.00 0.00 +0.061 A ATOM 15 C LIG 1 2.327 0.232 -1.671 0.00 0.00 -0.006 A ATOM 16 C LIG 1 0.959 0.693 -2.066 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 3.620 1.083 -3.663 0.00 0.00 +0.418 C ATOM 18 F LIG 1 3.200 2.376 -3.582 0.00 0.00 -0.166 F ATOM 19 F LIG 1 4.872 1.125 -4.192 0.00 0.00 -0.166 F ATOM 20 F LIG 1 2.833 0.497 -4.606 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 5.870 -1.379 0.175 0.00 0.00 +0.116 C BRANCH 21 22 ATOM 22 N LIG 1 6.802 -0.296 0.498 0.00 0.00 -0.307 NA ATOM 23 H LIG 1 6.288 0.425 1.005 0.00 0.00 +0.123 HD BRANCH 22 24 ATOM 24 C LIG 1 7.997 -0.784 1.207 0.00 0.00 +0.017 C ATOM 25 C LIG 1 8.776 0.471 1.706 0.00 0.00 +0.022 C ATOM 26 C LIG 1 8.900 -0.230 3.076 0.00 0.00 +0.004 C ATOM 27 C LIG 1 7.654 -1.060 2.699 0.00 0.00 +0.022 C ATOM 28 C LIG 1 8.834 -1.794 0.444 0.00 0.00 +0.027 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 5 29 ATOM 29 C LIG 1 -4.473 -0.292 1.105 0.00 0.00 +0.057 C ATOM 30 C LIG 1 -5.855 0.437 1.353 0.00 0.00 +0.030 C ATOM 31 C LIG 1 -5.576 0.322 2.828 0.00 0.00 +0.020 C ATOM 32 C LIG 1 -6.061 1.383 3.760 0.00 0.00 +0.169 C ATOM 33 O LIG 1 -6.989 0.438 4.369 0.00 0.00 -0.379 OA ATOM 34 C LIG 1 -6.359 -0.665 3.644 0.00 0.00 +0.169 C ATOM 35 C LIG 1 -4.110 0.111 2.597 0.00 0.00 +0.030 C BRANCH 29 36 ATOM 36 C LIG 1 -4.676 -1.862 0.931 0.00 0.00 +0.144 A ATOM 37 N LIG 1 -5.113 -2.541 -0.173 0.00 0.00 -0.320 N ATOM 38 C LIG 1 -5.487 -2.014 -1.457 0.00 0.00 +0.151 C ATOM 39 C LIG 1 -5.144 -3.855 0.181 0.00 0.00 +0.224 A ATOM 40 N LIG 1 -4.763 -3.982 1.429 0.00 0.00 -0.138 NA ATOM 41 N LIG 1 -4.467 -2.728 1.902 0.00 0.00 -0.134 NA ENDBRANCH 29 36 ENDBRANCH 5 29 BRANCH 1 42 ATOM 42 N LIG 1 -3.446 2.232 -3.178 0.00 0.00 -0.329 N ATOM 43 H LIG 1 -2.588 2.408 -3.701 0.00 0.00 +0.147 HD BRANCH 42 45 ATOM 44 C LIG 1 -5.571 3.392 -3.446 0.00 0.00 +0.024 C ATOM 45 C LIG 1 -4.159 3.474 -2.891 0.00 0.00 +0.099 C ENDBRANCH 42 45 ENDBRANCH 1 42 TORSDOF 9