REMARK Name = BDB022711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.262 -2.023 2.745 0.00 0.00 +0.139 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.977 -1.552 0.777 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.052 -1.582 1.824 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -0.264 -2.031 1.613 0.00 0.00 -0.029 A ATOM 5 C LIG 1 -0.649 -2.440 0.330 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.266 -2.415 -0.719 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.572 -1.974 -0.495 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 3.938 -0.656 2.057 0.00 0.00 +0.220 C ATOM 9 N LIG 1 3.310 -1.112 0.912 0.00 0.00 -0.285 N ATOM 10 H LIG 1 3.859 -1.129 0.064 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.432 -0.558 3.171 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 12 C LIG 1 7.985 0.452 0.915 0.00 0.00 +0.073 C ATOM 13 C LIG 1 7.738 -1.025 1.274 0.00 0.00 +0.023 C ATOM 14 C LIG 1 6.256 -1.402 1.340 0.00 0.00 +0.014 C ATOM 15 C LIG 1 5.396 -0.240 1.845 0.00 0.00 +0.075 C ATOM 16 C LIG 1 5.511 0.995 0.935 0.00 0.00 +0.014 C ATOM 17 C LIG 1 6.810 1.036 0.128 0.00 0.00 +0.023 C BRANCH 12 19 ATOM 18 C LIG 1 10.448 0.530 0.797 0.00 0.00 +0.237 C ATOM 19 N LIG 1 9.228 0.609 0.178 0.00 0.00 -0.309 N ATOM 20 H LIG 1 9.188 0.780 -0.816 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 10.606 0.381 2.002 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 11.683 0.360 -1.385 0.00 0.00 +0.013 C ATOM 23 C LIG 1 11.629 0.692 -0.088 0.00 0.00 +0.059 C ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 -1.854 -0.711 2.881 0.00 0.00 -0.309 N ATOM 25 H LIG 1 -1.194 0.022 3.146 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.853 -0.263 2.038 0.00 0.00 +0.223 A ATOM 27 N LIG 1 -2.989 1.125 1.875 0.00 0.00 -0.183 N ATOM 28 C LIG 1 -3.947 1.652 1.054 0.00 0.00 +0.168 A ATOM 29 C LIG 1 -3.789 3.022 1.128 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -2.690 3.194 2.015 0.00 0.00 +0.141 A ATOM 31 N LIG 1 -4.788 0.826 0.379 0.00 0.00 -0.175 NA ATOM 32 C LIG 1 -4.607 -0.449 0.570 0.00 0.00 +0.323 A ATOM 33 N LIG 1 -2.193 2.039 2.471 0.00 0.00 -0.170 NA ATOM 34 N LIG 1 -3.669 -1.039 1.385 0.00 0.00 -0.161 NA BRANCH 29 35 ATOM 35 C LIG 1 -4.589 4.072 0.419 0.00 0.00 +0.018 C ATOM 36 C LIG 1 -5.182 5.093 1.392 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -3.759 4.776 -0.656 0.00 0.00 +0.012 C ENDBRANCH 29 35 BRANCH 32 38 ATOM 38 O LIG 1 -5.355 -1.393 -0.051 0.00 0.00 -0.459 OA BRANCH 38 39 ATOM 39 C LIG 1 -6.363 -0.960 -0.990 0.00 0.00 +0.179 C ATOM 40 C LIG 1 -7.363 -2.110 -1.163 0.00 0.00 +0.060 C ATOM 41 C LIG 1 -6.958 -3.019 -2.320 0.00 0.00 +0.087 C ATOM 42 N LIG 1 -6.875 -2.322 -3.612 0.00 0.00 -0.305 NA ATOM 43 C LIG 1 -8.047 -2.569 -4.448 0.00 0.00 +0.104 C ATOM 44 C LIG 1 -6.611 -0.882 -3.495 0.00 0.00 +0.087 C ATOM 45 C LIG 1 -5.698 -0.570 -2.316 0.00 0.00 +0.060 C ENDBRANCH 38 39 ENDBRANCH 32 38 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10