REMARK Name = BDB040310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.386 -0.774 -0.891 0.00 0.00 -0.046 A ATOM 2 C LIG 1 4.732 -1.663 0.154 0.00 0.00 +0.016 A ATOM 3 C LIG 1 3.764 -2.186 1.034 0.00 0.00 +0.060 A ATOM 4 C LIG 1 2.443 -1.801 0.832 0.00 0.00 -0.006 A ATOM 5 C LIG 1 1.213 -2.169 1.596 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.155 -1.428 0.922 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.656 -0.707 -0.166 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.096 -0.005 -0.989 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.105 -0.941 -0.204 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.044 -0.419 -1.075 0.00 0.00 +0.017 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.190 -1.445 1.385 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.177 -0.623 0.819 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.520 -0.590 1.269 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -3.845 -1.470 2.317 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.888 -2.298 2.901 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.571 -2.280 2.441 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.633 0.401 0.582 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -5.647 1.069 1.590 0.00 0.00 +0.087 C ATOM 19 C LIG 1 -4.674 2.264 1.694 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -3.771 2.187 2.698 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -5.242 3.485 1.786 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -4.143 1.875 0.299 0.00 0.00 +0.087 C BRANCH 17 23 ATOM 23 C LIG 1 -5.224 -0.371 -0.619 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -6.112 0.391 -1.541 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.044 0.344 -2.912 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.136 -0.420 -3.723 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -7.021 1.172 -3.372 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -7.666 1.692 -2.355 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -7.105 1.190 -1.206 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 4.135 -3.123 2.150 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.711 -2.676 3.363 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.570 -4.353 1.993 0.00 0.00 -0.166 F ATOM 33 F LIG 1 5.473 -3.333 2.271 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 5.453 -0.213 -1.800 0.00 0.00 +0.041 C BRANCH 34 38 ATOM 35 C LIG 1 7.150 3.575 -0.193 0.00 0.00 +0.104 C ATOM 36 N LIG 1 6.155 2.582 0.212 0.00 0.00 -0.305 NA ATOM 37 C LIG 1 5.210 2.305 -0.891 0.00 0.00 +0.089 C ATOM 38 C LIG 1 6.072 1.090 -1.308 0.00 0.00 +0.021 C ATOM 39 C LIG 1 6.699 1.212 0.100 0.00 0.00 +0.089 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 7