REMARK Name = BDB037871 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.264 2.441 0.032 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.007 1.266 -0.159 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.461 -0.005 -0.104 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.542 -0.919 -0.223 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.691 -0.236 -0.346 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 1.004 -0.236 0.102 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.726 0.985 -0.526 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.342 1.069 -0.427 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.144 2.301 0.049 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.900 3.190 0.459 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.464 -2.397 -0.241 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.578 -3.164 0.103 0.00 0.00 -0.278 N ATOM 13 C LIG 1 -3.797 -2.718 0.776 0.00 0.00 +0.075 C ATOM 14 C LIG 1 -4.940 -2.490 -0.215 0.00 0.00 +0.028 C ATOM 15 C LIG 1 -4.108 -3.880 1.724 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -3.669 -5.107 0.934 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -2.429 -4.621 0.172 0.00 0.00 +0.179 C ATOM 18 O LIG 1 -0.409 -2.962 -0.535 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -2.352 -5.264 -1.157 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -2.334 -5.797 -2.189 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.376 1.947 -0.968 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.177 2.671 0.117 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.193 3.612 -0.507 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -4.557 4.474 -1.448 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.043 3.758 -2.570 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -2.918 2.834 -2.133 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.176 0.996 -0.340 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.532 1.644 0.353 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 4.006 0.155 -1.036 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.594 -0.684 -1.828 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.465 0.278 -0.764 0.00 0.00 +0.037 A ATOM 32 C LIG 1 6.272 -0.851 -0.965 0.00 0.00 +0.025 A ATOM 33 C LIG 1 7.654 -0.798 -0.722 0.00 0.00 +0.056 A ATOM 34 C LIG 1 8.220 0.413 -0.295 0.00 0.00 +0.012 A ATOM 35 C LIG 1 7.422 1.544 -0.109 0.00 0.00 +0.001 A ATOM 36 C LIG 1 6.048 1.479 -0.344 0.00 0.00 +0.013 A BRANCH 33 37 ATOM 37 C LIG 1 8.516 -2.014 -0.955 0.00 0.00 +0.417 C ATOM 38 F LIG 1 7.893 -3.180 -0.628 0.00 0.00 -0.166 F ATOM 39 F LIG 1 9.670 -1.997 -0.230 0.00 0.00 -0.166 F ATOM 40 F LIG 1 8.896 -2.139 -2.256 0.00 0.00 -0.166 F ENDBRANCH 33 37 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 1.357 -0.405 1.575 0.00 0.00 -0.001 C ATOM 42 C LIG 1 1.198 -1.742 2.260 0.00 0.00 +0.004 C ATOM 43 C LIG 1 2.572 -1.201 1.990 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 -0.949 3.638 2.085 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -0.782 3.695 0.572 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 8