REMARK Name = BDB046706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.983 -0.029 1.772 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -2.148 0.602 1.225 0.00 0.00 -0.492 OA BRANCH 2 4 ATOM 3 C LIG 1 -4.171 -0.432 2.007 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -3.163 -0.298 1.041 0.00 0.00 +0.124 A ATOM 5 C LIG 1 -3.201 -1.026 -0.151 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -4.237 -1.930 -0.380 0.00 0.00 +0.050 A ATOM 7 C LIG 1 -5.245 -2.077 0.574 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -5.206 -1.350 1.766 0.00 0.00 +0.053 A BRANCH 3 9 ATOM 9 C LIG 1 -4.178 0.386 3.276 0.00 0.00 +0.038 C BRANCH 9 11 ATOM 10 C LIG 1 -6.030 2.019 2.636 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -4.581 1.849 3.070 0.00 0.00 +0.001 C ENDBRANCH 9 11 ENDBRANCH 3 9 BRANCH 7 12 ATOM 12 O LIG 1 -6.278 -2.972 0.415 0.00 0.00 -0.456 OA BRANCH 12 13 ATOM 13 C LIG 1 -7.002 -2.887 -0.754 0.00 0.00 +0.129 A ATOM 14 C LIG 1 -7.462 -1.671 -1.274 0.00 0.00 +0.049 A ATOM 15 C LIG 1 -8.215 -1.663 -2.449 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -8.515 -2.866 -3.081 0.00 0.00 +0.124 A ATOM 17 F LIG 1 -9.240 -2.856 -4.207 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -8.081 -4.080 -2.557 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -7.326 -4.092 -1.384 0.00 0.00 +0.049 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 0.162 -0.003 0.767 0.00 0.00 +0.082 C BRANCH 20 21 ATOM 21 C LIG 1 0.479 1.412 0.284 0.00 0.00 +0.232 C BRANCH 21 22 ATOM 22 O LIG 1 1.579 1.392 -0.628 0.00 0.00 -0.492 OA BRANCH 22 23 ATOM 23 C LIG 1 2.853 1.412 -0.136 0.00 0.00 +0.124 A ATOM 24 C LIG 1 3.851 1.310 -1.109 0.00 0.00 +0.091 A ATOM 25 C LIG 1 5.200 1.305 -0.753 0.00 0.00 +0.129 A ATOM 26 O LIG 1 6.092 1.193 -1.783 0.00 0.00 -0.474 OA ATOM 27 C LIG 1 7.436 0.850 -1.427 0.00 0.00 +0.206 C ATOM 28 C LIG 1 7.903 1.705 -0.233 0.00 0.00 +0.064 C ATOM 29 C LIG 1 7.019 1.453 0.982 0.00 0.00 +0.043 C ATOM 30 C LIG 1 5.574 1.435 0.585 0.00 0.00 -0.005 A ATOM 31 C LIG 1 4.576 1.528 1.562 0.00 0.00 +0.011 A ATOM 32 C LIG 1 3.223 1.518 1.204 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 C LIG 1 7.646 -0.644 -1.102 0.00 0.00 +0.349 C ATOM 34 O LIG 1 8.601 -1.119 -0.503 0.00 0.00 -0.246 OA BRANCH 33 35 ATOM 35 O LIG 1 6.675 -1.459 -1.561 0.00 0.00 -0.478 OA ATOM 36 H LIG 1 6.944 -2.353 -1.266 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 27 33 BRANCH 27 37 ATOM 37 C LIG 1 8.328 1.191 -2.647 0.00 0.00 +0.056 C ATOM 38 C LIG 1 7.915 0.496 -3.942 0.00 0.00 +0.008 C ENDBRANCH 27 37 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 13