REMARK Name = BDB031831 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.906 -2.596 0.482 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.732 -1.883 -0.720 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.546 -1.163 -0.908 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.482 -1.131 0.023 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.491 -0.296 -0.559 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.096 0.162 -1.751 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.326 -1.861 1.216 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.113 -0.377 -1.937 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.600 -0.163 -2.798 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.861 -2.582 1.422 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.662 1.152 0.906 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.127 -0.117 1.170 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.802 -1.248 0.734 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.529 -2.722 0.841 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.171 -3.386 0.726 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.728 -3.364 0.182 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.545 -2.340 -0.264 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.419 -2.508 -0.737 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.917 -4.564 0.074 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.888 -3.318 2.060 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.018 -1.087 0.055 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.577 0.143 -0.219 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.881 1.276 0.214 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.345 3.506 1.071 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.906 2.190 1.380 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.650 -0.035 0.088 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -2.824 -0.476 0.983 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.840 0.585 -0.365 0.00 0.00 +0.167 A ATOM 29 C LIG 1 -4.845 0.828 0.595 0.00 0.00 +0.161 A ATOM 30 C LIG 1 -6.017 1.462 0.188 0.00 0.00 +0.059 A ATOM 31 C LIG 1 -6.171 1.848 -1.149 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.117 1.572 -2.041 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -5.262 1.952 -3.368 0.00 0.00 +0.028 A ATOM 34 C LIG 1 -6.416 2.593 -3.828 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -7.455 2.864 -2.945 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.335 2.493 -1.607 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -3.990 0.958 -1.655 0.00 0.00 -0.228 NA BRANCH 29 38 ATOM 38 O LIG 1 -4.583 0.389 1.872 0.00 0.00 -0.492 OA ATOM 39 C LIG 1 -5.525 0.737 2.879 0.00 0.00 +0.277 C ENDBRANCH 29 38 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5