REMARK Name = BDB030908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.642 -0.740 0.077 0.00 0.00 +0.023 A ATOM 2 C LIG 1 2.438 -1.337 0.502 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.257 -0.612 0.666 0.00 0.00 +0.010 A ATOM 4 C LIG 1 0.252 -1.522 1.120 0.00 0.00 +0.026 A ATOM 5 C LIG 1 0.829 -2.775 1.173 0.00 0.00 +0.093 A ATOM 6 C LIG 1 1.276 0.768 0.387 0.00 0.00 +0.012 A ATOM 7 C LIG 1 2.462 1.379 -0.046 0.00 0.00 +0.025 A ATOM 8 N LIG 1 2.145 -2.648 0.814 0.00 0.00 -0.359 N ATOM 9 H LIG 1 2.813 -3.405 0.757 0.00 0.00 +0.165 HD ATOM 10 C LIG 1 3.640 0.647 -0.205 0.00 0.00 +0.046 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.147 -1.262 1.418 0.00 0.00 +0.090 A ATOM 12 C LIG 1 -1.721 -1.534 2.639 0.00 0.00 +0.099 A ATOM 13 C LIG 1 -3.061 -1.233 2.716 0.00 0.00 +0.129 A ATOM 14 N LIG 1 -3.774 -0.700 1.705 0.00 0.00 -0.222 NA ATOM 15 C LIG 1 -3.120 -0.441 0.568 0.00 0.00 +0.216 A ATOM 16 N LIG 1 -1.828 -0.712 0.387 0.00 0.00 -0.214 NA BRANCH 12 17 ATOM 17 C LIG 1 -0.999 -2.104 3.802 0.00 0.00 +0.421 C ATOM 18 F LIG 1 -1.717 -2.018 4.961 0.00 0.00 -0.166 F ATOM 19 F LIG 1 0.186 -1.494 4.076 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -0.724 -3.431 3.658 0.00 0.00 -0.166 F ENDBRANCH 12 17 BRANCH 15 21 ATOM 21 N LIG 1 -3.767 0.138 -0.510 0.00 0.00 -0.309 N ATOM 22 H LIG 1 -3.165 -0.024 -1.310 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 -5.174 -0.233 -0.694 0.00 0.00 +0.087 C ATOM 24 C LIG 1 -5.503 -0.264 -2.207 0.00 0.00 +0.103 C ATOM 25 N LIG 1 -5.342 1.021 -2.906 0.00 0.00 -0.314 NA ATOM 26 H LIG 1 -4.381 1.111 -3.236 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -5.632 2.181 -2.053 0.00 0.00 +0.081 C ATOM 28 C LIG 1 -6.615 1.872 -0.929 0.00 0.00 +0.017 C ATOM 29 C LIG 1 -6.086 0.786 0.013 0.00 0.00 +0.025 C ENDBRANCH 21 23 ENDBRANCH 15 21 ENDBRANCH 4 11 BRANCH 10 30 ATOM 30 N LIG 1 4.845 1.239 -0.641 0.00 0.00 -0.251 N ATOM 31 H LIG 1 5.646 0.633 -0.750 0.00 0.00 +0.158 HD ATOM 32 C LIG 1 5.100 2.539 -0.962 0.00 0.00 +0.404 C ATOM 33 O LIG 1 4.336 3.491 -0.934 0.00 0.00 -0.226 OA BRANCH 32 34 ATOM 34 O LIG 1 6.406 2.627 -1.339 0.00 0.00 -0.453 OA ATOM 35 C LIG 1 6.819 3.944 -1.706 0.00 0.00 +0.282 C ENDBRANCH 32 34 ENDBRANCH 10 30 BRANCH 1 37 ATOM 36 C LIG 1 5.118 -2.174 -1.222 0.00 0.00 +0.012 C ATOM 37 C LIG 1 4.824 -1.610 -0.041 0.00 0.00 -0.047 C ATOM 38 C LIG 1 5.648 -1.791 1.199 0.00 0.00 +0.044 C ENDBRANCH 1 37 TORSDOF 7