REMARK Name = BDB048174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.865 -0.808 -0.048 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -0.686 0.593 0.067 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.596 1.138 0.159 0.00 0.00 +0.040 A ATOM 4 C LIG 1 1.718 0.297 0.150 0.00 0.00 +0.061 A ATOM 5 C LIG 1 1.545 -1.091 0.049 0.00 0.00 +0.017 A ATOM 6 C LIG 1 0.263 -1.638 -0.047 0.00 0.00 +0.026 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -3.805 -5.154 -0.667 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -3.899 -3.777 -0.194 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -3.800 -2.801 -1.302 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -2.449 -2.057 -1.390 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -2.186 -1.313 -0.136 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -2.626 -2.013 1.100 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -2.892 -3.516 0.858 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 2 14 ATOM 14 N LIG 1 -1.875 1.351 0.071 0.00 0.00 -0.280 N ATOM 15 H LIG 1 -2.696 0.755 0.010 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 -2.027 2.708 0.237 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -1.139 3.522 0.460 0.00 0.00 -0.270 OA BRANCH 16 18 ATOM 18 C LIG 1 -3.434 3.198 0.164 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -3.791 4.308 0.948 0.00 0.00 +0.038 A ATOM 20 C LIG 1 -5.086 4.831 0.897 0.00 0.00 +0.061 A ATOM 21 C LIG 1 -6.036 4.169 0.107 0.00 0.00 +0.144 A ATOM 22 F LIG 1 -7.304 4.611 0.088 0.00 0.00 -0.204 F ATOM 23 C LIG 1 -5.695 3.078 -0.687 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -4.387 2.594 -0.669 0.00 0.00 +0.016 A BRANCH 20 25 ATOM 25 N LIG 1 -5.467 5.853 1.782 0.00 0.00 -0.356 N ATOM 26 H LIG 1 -6.321 6.325 1.491 0.00 0.00 +0.142 HD ATOM 27 H LIG 1 -4.719 6.498 2.019 0.00 0.00 +0.142 HD ENDBRANCH 20 25 ENDBRANCH 16 18 ENDBRANCH 2 14 BRANCH 4 28 ATOM 28 C LIG 1 3.068 0.920 0.247 0.00 0.00 +0.340 C ATOM 29 O LIG 1 3.264 2.123 0.276 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 4.027 -0.041 0.296 0.00 0.00 -0.458 OA BRANCH 30 31 ATOM 31 C LIG 1 5.389 0.427 0.388 0.00 0.00 +0.177 C ATOM 32 C LIG 1 5.870 0.847 -1.011 0.00 0.00 +0.044 C ATOM 33 C LIG 1 7.362 0.610 -1.195 0.00 0.00 +0.004 C ATOM 34 C LIG 1 7.718 -0.871 -1.047 0.00 0.00 +0.000 C ATOM 35 C LIG 1 6.795 -1.626 -0.088 0.00 0.00 +0.004 C ATOM 36 C LIG 1 6.228 -0.710 0.991 0.00 0.00 +0.044 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 4 28 TORSDOF 7