REMARK Name = BDB053958 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.257 0.273 1.501 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -3.323 -0.232 0.741 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -4.592 0.387 0.805 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -4.740 1.496 1.640 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -6.041 1.925 1.530 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -6.425 2.717 2.025 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -6.747 1.130 0.662 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -8.088 1.192 0.253 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -9.170 2.175 0.612 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -10.425 1.408 0.174 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -10.008 0.505 -0.997 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -8.574 0.249 -0.665 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -7.724 -0.709 -1.150 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -7.940 -1.789 -2.110 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -8.982 -2.038 -2.682 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -6.753 -2.440 -2.221 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -6.606 -3.239 -2.817 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -5.783 -1.898 -1.432 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -4.638 -2.288 -1.329 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -6.397 -0.769 -0.736 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -3.695 2.013 2.415 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -5.861 0.147 0.184 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -2.452 1.379 2.333 0.00 0.00 +0.013 A ENDROOT BRANCH 1 24 ATOM 24 C LIG 1 -0.903 -0.354 1.463 0.00 0.00 +0.164 C ATOM 25 O LIG 1 -0.111 -0.130 2.379 0.00 0.00 -0.292 OA BRANCH 24 26 ATOM 26 C LIG 1 -0.557 -1.280 0.309 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 0.956 -1.434 0.157 0.00 0.00 +0.104 C BRANCH 27 33 ATOM 28 C LIG 1 7.242 0.492 -0.129 0.00 0.00 +0.403 C ATOM 29 N LIG 1 5.881 0.267 -0.152 0.00 0.00 -0.264 N ATOM 30 C LIG 1 4.962 1.401 -0.061 0.00 0.00 +0.130 C ATOM 31 C LIG 1 3.638 1.138 -0.787 0.00 0.00 +0.127 C ATOM 32 N LIG 1 2.983 -0.098 -0.343 0.00 0.00 -0.298 N ATOM 33 C LIG 1 1.598 -0.170 -0.395 0.00 0.00 +0.216 C ATOM 34 O LIG 1 0.918 0.728 -0.894 0.00 0.00 -0.276 OA ATOM 35 C LIG 1 3.851 -1.146 0.205 0.00 0.00 +0.127 C ATOM 36 C LIG 1 5.295 -1.064 -0.309 0.00 0.00 +0.130 C ATOM 37 O LIG 1 7.742 1.599 0.018 0.00 0.00 -0.226 OA BRANCH 28 38 ATOM 38 O LIG 1 7.947 -0.656 -0.298 0.00 0.00 -0.445 OA BRANCH 38 40 ATOM 39 C LIG 1 9.941 0.173 -1.486 0.00 0.00 +0.055 C ATOM 40 C LIG 1 9.398 -0.648 -0.311 0.00 0.00 +0.107 C ATOM 41 C LIG 1 9.790 -2.119 -0.520 0.00 0.00 +0.055 C ATOM 42 C LIG 1 9.967 -0.178 1.032 0.00 0.00 +0.055 C ENDBRANCH 38 40 ENDBRANCH 28 38 ENDBRANCH 27 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 6