REMARK Name = BDB013318 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.940 -2.621 -0.708 0.00 0.00 +0.021 C ATOM 2 C LIG 1 -1.911 -1.914 0.658 0.00 0.00 +0.055 C ATOM 3 C LIG 1 -0.459 -1.534 0.932 0.00 0.00 +0.223 C ATOM 4 O LIG 1 0.248 -2.223 1.663 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 0.043 -0.471 0.198 0.00 0.00 -0.289 N ATOM 6 C LIG 1 -0.787 0.675 -0.239 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -2.347 0.486 -0.259 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -2.781 -0.643 0.691 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -0.430 1.930 0.571 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.602 1.976 1.965 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.267 3.124 2.687 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.245 4.236 2.024 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.661 5.647 2.913 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.426 4.209 0.643 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.092 3.062 -0.080 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -2.966 0.521 -1.667 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -2.648 1.594 -2.527 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -3.205 1.692 -3.805 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -2.768 3.008 -4.824 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.111 0.741 -4.253 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.473 -0.303 -3.408 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.917 -0.403 -2.127 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 1.513 -0.343 0.018 0.00 0.00 +0.091 C ATOM 24 C LIG 1 2.327 -0.107 1.322 0.00 0.00 +0.107 C ATOM 25 N LIG 1 3.784 0.043 1.109 0.00 0.00 -0.293 NA ATOM 26 C LIG 1 4.314 -1.106 0.364 0.00 0.00 +0.085 C ATOM 27 C LIG 1 3.602 -1.363 -0.965 0.00 0.00 +0.017 C ATOM 28 C LIG 1 2.096 -1.532 -0.767 0.00 0.00 +0.025 C BRANCH 25 29 ATOM 29 C LIG 1 4.131 1.367 0.530 0.00 0.00 +0.198 C BRANCH 29 30 ATOM 30 C LIG 1 5.620 1.723 0.331 0.00 0.00 +0.402 C ATOM 31 F LIG 1 5.741 3.032 -0.002 0.00 0.00 -0.169 F ATOM 32 F LIG 1 6.172 1.009 -0.677 0.00 0.00 -0.169 F ATOM 33 F LIG 1 6.354 1.519 1.444 0.00 0.00 -0.169 F ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 5 23 BRANCH 2 34 ATOM 34 C LIG 1 -2.443 -2.849 1.778 0.00 0.00 +0.136 C BRANCH 34 35 ATOM 35 C LIG 1 -1.734 -4.172 1.945 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -1.490 -4.990 1.075 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.437 -4.434 3.233 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -0.937 -5.276 3.192 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 8