REMARK Name = BDB011908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.129 0.097 0.669 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.423 -1.090 1.083 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.826 -1.142 1.537 0.00 0.00 +0.193 C ATOM 4 C LIG 1 1.905 -2.456 2.264 0.00 0.00 -0.014 A ATOM 5 C LIG 1 0.669 -3.112 2.213 0.00 0.00 -0.025 A ATOM 6 C LIG 1 0.486 -4.343 2.819 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.569 -4.918 3.487 0.00 0.00 +0.000 A ATOM 8 C LIG 1 2.809 -4.262 3.539 0.00 0.00 +0.000 A ATOM 9 C LIG 1 2.984 -3.020 2.926 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -0.323 -2.296 1.451 0.00 0.00 +0.144 C ATOM 11 O LIG 1 0.525 1.146 0.716 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 2.757 -1.058 0.302 0.00 0.00 +0.242 C ATOM 13 N LIG 1 3.022 0.257 -0.066 0.00 0.00 -0.279 N ATOM 14 H LIG 1 2.316 0.942 0.220 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 3.108 -2.045 -0.339 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 3.883 0.661 -1.111 0.00 0.00 +0.105 A ATOM 17 C LIG 1 5.008 -0.051 -1.536 0.00 0.00 +0.147 A ATOM 18 F LIG 1 5.413 -1.160 -0.903 0.00 0.00 -0.203 F ATOM 19 C LIG 1 5.807 0.422 -2.580 0.00 0.00 +0.040 A ATOM 20 C LIG 1 5.502 1.629 -3.208 0.00 0.00 +0.006 A ATOM 21 C LIG 1 4.403 2.368 -2.777 0.00 0.00 +0.040 A ATOM 22 C LIG 1 3.614 1.885 -1.734 0.00 0.00 +0.147 A ATOM 23 F LIG 1 2.557 2.613 -1.339 0.00 0.00 -0.203 F ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 24 ATOM 24 C LIG 1 -1.554 0.083 0.077 0.00 0.00 +0.162 C BRANCH 24 25 ATOM 25 C LIG 1 -1.559 0.049 -1.470 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -0.800 1.206 -2.135 0.00 0.00 +0.034 C ATOM 27 C LIG 1 -0.991 1.179 -3.653 0.00 0.00 +0.160 C ATOM 28 O LIG 1 -1.319 -0.118 -4.155 0.00 0.00 -0.380 OA ATOM 29 C LIG 1 -0.595 -1.153 -3.502 0.00 0.00 +0.160 C ATOM 30 C LIG 1 -1.045 -1.283 -2.047 0.00 0.00 +0.034 C ENDBRANCH 24 25 BRANCH 24 32 ATOM 31 C LIG 1 -3.568 1.361 0.777 0.00 0.00 +0.230 C ATOM 32 N LIG 1 -2.210 1.290 0.578 0.00 0.00 -0.302 N ATOM 33 H LIG 1 -1.631 2.119 0.670 0.00 0.00 +0.150 HD ATOM 34 O LIG 1 -4.306 0.401 0.555 0.00 0.00 -0.274 OA BRANCH 31 35 ATOM 35 C LIG 1 -4.096 2.748 1.231 0.00 0.00 +0.137 C ATOM 36 C LIG 1 -3.326 3.315 2.424 0.00 0.00 +0.034 C BRANCH 35 38 ATOM 37 C LIG 1 -5.958 2.059 2.701 0.00 0.00 +0.101 C ATOM 38 N LIG 1 -5.563 2.702 1.452 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 -5.958 2.149 0.684 0.00 0.00 +0.122 HD ENDBRANCH 35 38 ENDBRANCH 31 35 ENDBRANCH 24 32 ENDBRANCH 1 24 TORSDOF 7