REMARK Name = BDB053947 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.318 0.392 0.655 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -1.460 0.166 -0.134 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -2.741 0.157 0.461 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.824 0.395 1.835 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -4.153 0.356 2.181 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -4.506 0.501 3.116 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -4.937 0.091 1.087 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -6.330 -0.039 0.975 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -7.408 0.109 2.015 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -8.591 -0.576 1.318 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -8.389 -0.380 -0.193 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -6.900 -0.313 -0.277 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -6.082 -0.442 -1.367 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -6.387 -0.710 -2.771 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -7.494 -0.875 -3.240 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -5.193 -0.738 -3.418 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -5.092 -0.920 -4.404 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -4.139 -0.530 -2.581 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -2.965 -0.536 -2.888 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -4.700 -0.320 -1.248 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -1.703 0.632 2.639 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -4.078 -0.045 -0.019 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -0.446 0.626 2.026 0.00 0.00 +0.013 A ENDROOT BRANCH 1 24 ATOM 24 C LIG 1 1.016 0.392 -0.016 0.00 0.00 +0.177 C ATOM 25 O LIG 1 1.074 0.692 -1.206 0.00 0.00 -0.291 OA BRANCH 24 26 ATOM 26 C LIG 1 2.241 0.047 0.838 0.00 0.00 +0.164 C BRANCH 26 28 ATOM 27 C LIG 1 3.102 -1.744 -0.581 0.00 0.00 +0.105 C ATOM 28 N LIG 1 3.405 -0.483 0.098 0.00 0.00 -0.288 NA BRANCH 28 29 ATOM 29 C LIG 1 3.984 0.506 -0.836 0.00 0.00 +0.205 C BRANCH 29 30 ATOM 30 C LIG 1 5.439 0.167 -1.150 0.00 0.00 +0.322 C ATOM 31 O LIG 1 5.810 -0.386 -2.177 0.00 0.00 -0.249 OA BRANCH 30 32 ATOM 32 O LIG 1 6.243 0.552 -0.118 0.00 0.00 -0.458 OA BRANCH 32 33 ATOM 33 C LIG 1 7.668 0.289 -0.152 0.00 0.00 +0.105 C ATOM 34 C LIG 1 8.346 1.034 -1.307 0.00 0.00 +0.055 C ATOM 35 C LIG 1 7.955 -1.216 -0.191 0.00 0.00 +0.055 C ATOM 36 C LIG 1 8.199 0.855 1.175 0.00 0.00 +0.055 C ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 7