REMARK Name = BDB024350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.379 -0.907 2.039 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.498 -2.269 1.367 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.812 -3.394 2.147 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.933 -4.657 1.564 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.751 -4.812 0.192 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.458 -3.704 -0.599 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.338 -2.440 -0.019 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.332 0.064 1.413 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.907 -0.513 1.228 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.031 -1.496 1.439 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.602 1.244 1.186 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.070 0.063 0.723 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.103 -0.802 0.653 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.279 -0.340 0.170 0.00 0.00 +0.116 A ATOM 15 C LIG 1 4.497 0.966 -0.254 0.00 0.00 -0.024 A ATOM 16 C LIG 1 3.410 1.837 -0.167 0.00 0.00 +0.009 A ATOM 17 C LIG 1 2.184 1.385 0.325 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.824 1.442 -0.776 0.00 0.00 +0.046 C ATOM 19 C LIG 1 6.975 1.338 0.224 0.00 0.00 +0.116 C ATOM 20 N LIG 1 8.139 1.324 -0.623 0.00 0.00 -0.304 N ATOM 21 C LIG 1 9.477 1.352 -0.079 0.00 0.00 +0.132 C ATOM 22 C LIG 1 7.847 0.851 -1.895 0.00 0.00 +0.216 C ATOM 23 O LIG 1 8.647 0.568 -2.770 0.00 0.00 -0.276 OA ATOM 24 C LIG 1 6.350 0.678 -1.999 0.00 0.00 +0.105 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.685 -0.227 2.255 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 -2.456 0.705 2.608 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.479 -0.062 1.027 0.00 0.00 +0.089 C BRANCH 27 29 ATOM 28 C LIG 1 -4.426 2.239 1.673 0.00 0.00 +0.014 C ATOM 29 C LIG 1 -4.748 0.798 1.255 0.00 0.00 +0.030 C BRANCH 29 30 ATOM 30 C LIG 1 -5.631 0.777 0.012 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -6.866 0.112 0.048 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.688 0.071 -1.082 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -7.284 0.693 -2.266 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.055 1.355 -2.315 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.234 1.395 -1.184 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -8.126 0.650 -3.425 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -8.807 0.615 -4.365 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9