REMARK Name = BDB031868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.637 -2.288 -2.015 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.621 -2.847 -1.217 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.445 -2.032 -0.819 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.560 -0.697 -1.179 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.772 -0.244 -0.565 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -2.364 -1.238 0.105 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.441 -0.135 -1.993 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.548 -2.286 -0.055 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.808 -3.160 0.387 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.516 -0.941 -2.401 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.811 -0.084 0.623 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.133 -1.135 -0.012 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.672 -1.702 -1.158 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.234 -2.817 -2.065 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.809 -3.118 -2.485 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.347 -2.919 -3.083 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.273 -1.939 -2.772 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.119 -1.803 -3.302 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.395 -3.722 -3.999 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.544 -4.040 -1.532 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.896 -1.216 -1.639 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.592 -0.187 -1.041 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.034 0.385 0.107 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.810 1.471 2.427 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.181 0.397 1.740 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.211 1.027 -0.712 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.643 1.686 -1.230 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.240 1.717 -0.025 0.00 0.00 +0.170 A ATOM 29 C LIG 1 -3.604 2.979 -0.500 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -4.637 3.594 0.176 0.00 0.00 +0.162 A ATOM 31 N LIG 1 -5.286 3.046 1.223 0.00 0.00 -0.236 NA ATOM 32 C LIG 1 -4.876 1.824 1.603 0.00 0.00 +0.137 A ATOM 33 N LIG 1 -3.872 1.152 1.022 0.00 0.00 -0.213 NA BRANCH 32 34 ATOM 34 C LIG 1 -5.568 1.193 2.772 0.00 0.00 +0.085 C ATOM 35 C LIG 1 -6.007 -0.242 2.543 0.00 0.00 +0.171 C ATOM 36 O LIG 1 -6.165 -0.825 3.852 0.00 0.00 -0.379 OA ATOM 37 C LIG 1 -5.464 0.000 4.795 0.00 0.00 +0.160 C ATOM 38 C LIG 1 -4.701 1.043 4.005 0.00 0.00 +0.041 C ENDBRANCH 32 34 BRANCH 29 39 ATOM 39 O LIG 1 -2.899 3.486 -1.559 0.00 0.00 -0.490 OA ATOM 40 C LIG 1 -3.363 4.720 -2.097 0.00 0.00 +0.277 C ENDBRANCH 29 39 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6