REMARK Name = BDB048306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.833 -1.089 -1.152 0.00 0.00 +0.174 C ATOM 2 C LIG 1 -1.655 -2.521 -1.650 0.00 0.00 +0.052 C ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.465 -0.934 0.333 0.00 0.00 +0.085 C BRANCH 3 4 ATOM 4 C LIG 1 -0.028 -1.316 0.673 0.00 0.00 +0.232 C BRANCH 4 5 ATOM 5 O LIG 1 0.858 -0.595 -0.180 0.00 0.00 -0.492 OA BRANCH 5 11 ATOM 6 C LIG 1 4.769 -2.724 2.027 0.00 0.00 +0.044 C ATOM 7 C LIG 1 4.192 -1.785 0.999 0.00 0.00 -0.044 A ATOM 8 C LIG 1 5.008 -1.045 0.118 0.00 0.00 -0.044 A ATOM 9 C LIG 1 4.397 -0.207 -0.829 0.00 0.00 +0.007 A ATOM 10 C LIG 1 3.009 -0.090 -0.892 0.00 0.00 +0.046 A ATOM 11 C LIG 1 2.198 -0.808 -0.018 0.00 0.00 +0.121 A ATOM 12 C LIG 1 2.791 -1.654 0.919 0.00 0.00 +0.049 A BRANCH 8 13 ATOM 13 C LIG 1 6.521 -1.081 0.175 0.00 0.00 +0.046 C BRANCH 13 14 ATOM 14 C LIG 1 7.115 0.195 0.764 0.00 0.00 +0.125 C BRANCH 14 15 ATOM 15 C LIG 1 6.937 0.268 2.258 0.00 0.00 +0.305 C ATOM 16 O LIG 1 7.789 -0.088 3.059 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 5.740 0.759 2.645 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 5.123 0.926 1.904 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 5 11 ENDBRANCH 4 5 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 O LIG 1 -3.236 -0.782 -1.314 0.00 0.00 -0.488 OA BRANCH 19 20 ATOM 20 C LIG 1 -3.466 0.534 -1.632 0.00 0.00 +0.130 A ATOM 21 C LIG 1 -4.132 1.371 -0.717 0.00 0.00 +0.043 A ATOM 22 C LIG 1 -4.329 2.716 -1.098 0.00 0.00 +0.026 A ATOM 23 C LIG 1 -3.915 3.208 -2.348 0.00 0.00 +0.056 A ATOM 24 C LIG 1 -3.306 2.329 -3.251 0.00 0.00 +0.016 A ATOM 25 C LIG 1 -3.086 0.999 -2.897 0.00 0.00 +0.047 A BRANCH 21 26 ATOM 26 C LIG 1 -4.609 0.917 0.604 0.00 0.00 +0.074 A ATOM 27 N LIG 1 -4.383 1.776 1.633 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 -4.803 1.410 2.865 0.00 0.00 +0.111 A ATOM 29 C LIG 1 -5.452 0.220 3.136 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -5.690 -0.649 2.080 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -5.269 -0.296 0.799 0.00 0.00 +0.028 A ENDBRANCH 21 26 BRANCH 23 32 ATOM 32 C LIG 1 -4.163 4.647 -2.732 0.00 0.00 +0.417 C ATOM 33 F LIG 1 -3.131 5.188 -3.440 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -4.354 5.472 -1.666 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -5.266 4.788 -3.518 0.00 0.00 -0.166 F ENDBRANCH 23 32 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12