REMARK Name = BDB063774 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.001 0.276 0.525 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -2.023 -0.118 -0.340 0.00 0.00 -0.257 N ATOM 3 O LIG 1 -1.220 0.824 1.606 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -1.826 -1.002 -1.438 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -2.254 -0.655 -2.727 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -2.079 -1.542 -3.793 0.00 0.00 +0.022 A ATOM 7 C LIG 1 -1.489 -2.784 -3.574 0.00 0.00 +0.041 A ATOM 8 CL LIG 1 -1.277 -3.875 -4.885 0.00 0.00 -0.084 Cl ATOM 9 C LIG 1 -1.075 -3.148 -2.295 0.00 0.00 +0.022 A ATOM 10 C LIG 1 -1.247 -2.260 -1.230 0.00 0.00 +0.025 A ENDBRANCH 2 4 BRANCH 1 11 ATOM 11 C LIG 1 0.445 0.076 0.094 0.00 0.00 +0.105 C BRANCH 11 12 ATOM 12 C LIG 1 1.113 -1.050 0.870 0.00 0.00 +0.105 C BRANCH 12 17 ATOM 13 C LIG 1 6.022 -0.918 -0.040 0.00 0.00 +0.059 C ATOM 14 C LIG 1 5.068 -0.123 -0.946 0.00 0.00 +0.038 C ATOM 15 C LIG 1 3.625 -0.323 -0.478 0.00 0.00 +0.109 C ATOM 16 N LIG 1 3.475 -0.252 0.976 0.00 0.00 -0.301 N ATOM 17 C LIG 1 2.312 -0.572 1.667 0.00 0.00 +0.216 C ATOM 18 O LIG 1 2.234 -0.498 2.895 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 4.603 0.300 1.716 0.00 0.00 +0.109 C ATOM 20 C LIG 1 5.901 -0.456 1.430 0.00 0.00 +0.038 C BRANCH 13 22 ATOM 21 C LIG 1 8.066 0.307 -0.722 0.00 0.00 +0.104 C ATOM 22 N LIG 1 7.397 -0.985 -0.582 0.00 0.00 -0.305 NA ATOM 23 C LIG 1 8.239 -1.915 0.172 0.00 0.00 +0.104 C ENDBRANCH 13 22 ENDBRANCH 12 17 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 24 ATOM 24 C LIG 1 -3.393 0.440 -0.148 0.00 0.00 +0.184 C BRANCH 24 25 ATOM 25 C LIG 1 -4.009 0.078 1.209 0.00 0.00 -0.001 A ATOM 26 C LIG 1 -4.183 0.942 2.310 0.00 0.00 +0.049 A ATOM 27 CL LIG 1 -3.734 2.610 2.313 0.00 0.00 -0.083 Cl ATOM 28 C LIG 1 -4.751 0.472 3.502 0.00 0.00 +0.058 A ATOM 29 C LIG 1 -5.140 -0.854 3.613 0.00 0.00 +0.125 A ATOM 30 F LIG 1 -5.685 -1.291 4.755 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -4.973 -1.734 2.557 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -4.409 -1.273 1.367 0.00 0.00 +0.010 A ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 -3.485 1.885 -0.666 0.00 0.00 +0.188 C ATOM 34 O LIG 1 -2.499 2.503 -1.077 0.00 0.00 -0.290 OA BRANCH 33 35 ATOM 35 C LIG 1 -4.825 2.548 -0.804 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -6.037 1.844 -0.773 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -7.251 2.528 -0.908 0.00 0.00 +0.020 A ATOM 38 C LIG 1 -7.261 3.911 -1.078 0.00 0.00 +0.041 A ATOM 39 CL LIG 1 -8.757 4.742 -1.243 0.00 0.00 -0.084 Cl ATOM 40 C LIG 1 -6.065 4.621 -1.118 0.00 0.00 +0.020 A ATOM 41 C LIG 1 -4.851 3.941 -0.984 0.00 0.00 +0.013 A ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 2 24 TORSDOF 9