REMARK Name = BDB057471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 2.223 -0.807 0.537 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 3.520 -0.206 0.150 0.00 0.00 -0.331 N ATOM 3 H LIG 1 4.027 -0.827 -0.502 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 5.799 0.399 0.808 0.00 0.00 +0.043 A ATOM 5 C LIG 1 4.426 0.253 1.125 0.00 0.00 +0.039 A ATOM 6 C LIG 1 4.008 0.726 2.377 0.00 0.00 +0.023 A ATOM 7 C LIG 1 4.918 1.240 3.308 0.00 0.00 +0.002 A ATOM 8 C LIG 1 6.272 1.316 2.999 0.00 0.00 +0.001 A ATOM 9 C LIG 1 6.716 0.896 1.750 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 5.894 -1.081 -1.013 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 6.302 -0.028 -0.525 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 7.277 0.798 -1.283 0.00 0.00 +0.022 A ATOM 13 C LIG 1 7.283 2.196 -1.193 0.00 0.00 +0.012 A ATOM 14 C LIG 1 8.207 2.937 -1.933 0.00 0.00 +0.001 A ATOM 15 C LIG 1 9.116 2.288 -2.768 0.00 0.00 +0.000 A ATOM 16 C LIG 1 9.101 0.897 -2.874 0.00 0.00 +0.001 A ATOM 17 C LIG 1 8.179 0.153 -2.137 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 2.430 -2.140 1.262 0.00 0.00 +0.326 C ATOM 19 O LIG 1 2.836 -3.185 0.774 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 2.121 -2.085 2.577 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 2.326 -2.989 2.897 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 1.397 -1.048 -0.742 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 -0.040 -1.421 -0.461 0.00 0.00 -0.045 A ATOM 24 C LIG 1 -0.995 -0.429 -0.204 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -2.323 -0.772 0.078 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -2.711 -2.110 0.114 0.00 0.00 +0.121 A ATOM 27 C LIG 1 -1.758 -3.099 -0.140 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -0.434 -2.762 -0.427 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 -3.964 -2.588 0.376 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 -5.021 -1.659 0.620 0.00 0.00 +0.233 C BRANCH 30 31 ATOM 31 C LIG 1 -5.656 -1.203 -0.695 0.00 0.00 +0.076 C BRANCH 31 32 ATOM 32 C LIG 1 -6.793 -0.240 -0.473 0.00 0.00 -0.044 A ATOM 33 C LIG 1 -6.595 1.138 -0.601 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -7.652 2.025 -0.380 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -8.920 1.555 -0.024 0.00 0.00 +0.130 A ATOM 36 C LIG 1 -9.119 0.182 0.108 0.00 0.00 +0.046 A ATOM 37 C LIG 1 -8.062 -0.709 -0.114 0.00 0.00 +0.007 A BRANCH 35 38 ATOM 38 O LIG 1 -9.854 2.534 0.160 0.00 0.00 -0.406 OA BRANCH 38 39 ATOM 39 C LIG 1 -11.155 2.137 0.557 0.00 0.00 +0.575 C ATOM 40 F LIG 1 -11.732 1.351 -0.377 0.00 0.00 -0.133 F ATOM 41 F LIG 1 -11.127 1.487 1.741 0.00 0.00 -0.133 F ATOM 42 F LIG 1 -11.919 3.242 0.705 0.00 0.00 -0.133 F ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 14