REMARK Name = BDB065081 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.843 0.761 0.960 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -2.185 -0.357 1.303 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -2.125 -0.666 2.611 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -2.783 0.086 3.572 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -2.737 -0.279 4.977 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.039 -1.358 5.340 0.00 0.00 +0.071 A ATOM 7 C LIG 1 -1.304 -2.187 4.352 0.00 0.00 +0.253 A ATOM 8 O LIG 1 -0.690 -3.166 4.769 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -3.472 1.188 3.107 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -1.359 -1.796 3.023 0.00 0.00 -0.285 N ATOM 11 N LIG 1 -3.519 1.550 1.812 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -1.860 1.953 -0.978 0.00 0.00 +0.229 A ATOM 13 C LIG 1 -2.831 1.120 -0.442 0.00 0.00 +0.102 A ATOM 14 C LIG 1 -3.760 0.617 -1.350 0.00 0.00 +0.062 A ATOM 15 N LIG 1 -3.706 0.941 -2.669 0.00 0.00 -0.239 NA ATOM 16 C LIG 1 -2.731 1.769 -3.062 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -1.789 2.297 -2.280 0.00 0.00 -0.201 NA BRANCH 14 18 ATOM 18 C LIG 1 -4.857 -0.345 -0.924 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -6.024 0.150 -0.099 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -6.239 -0.237 -1.530 0.00 0.00 +0.010 C ENDBRANCH 14 18 BRANCH 12 22 ATOM 21 C LIG 1 0.156 3.151 -0.752 0.00 0.00 +0.279 C ATOM 22 O LIG 1 -0.910 2.461 -0.108 0.00 0.00 -0.479 OA ENDBRANCH 12 22 ENDBRANCH 1 13 BRANCH 10 23 ATOM 23 C LIG 1 -0.609 -2.579 2.021 0.00 0.00 +0.119 C ATOM 24 C LIG 1 -1.553 -3.442 1.169 0.00 0.00 +0.036 C BRANCH 23 25 ATOM 25 C LIG 1 0.428 -1.744 1.265 0.00 0.00 -0.025 A ATOM 26 C LIG 1 1.481 -1.154 1.986 0.00 0.00 +0.006 A ATOM 27 C LIG 1 2.423 -0.342 1.348 0.00 0.00 +0.012 A ATOM 28 C LIG 1 2.345 -0.115 -0.028 0.00 0.00 +0.017 A ATOM 29 C LIG 1 1.300 -0.695 -0.754 0.00 0.00 +0.012 A ATOM 30 C LIG 1 0.357 -1.507 -0.116 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 3.321 0.759 -0.676 0.00 0.00 +0.142 A ATOM 32 N LIG 1 4.199 0.388 -1.676 0.00 0.00 -0.327 N ATOM 33 C LIG 1 4.909 1.503 -2.043 0.00 0.00 +0.120 A ATOM 34 C LIG 1 4.480 2.523 -1.215 0.00 0.00 +0.162 A ATOM 35 N LIG 1 3.499 2.031 -0.368 0.00 0.00 -0.224 NA BRANCH 34 36 ATOM 36 C LIG 1 4.935 3.952 -1.178 0.00 0.00 +0.436 C ATOM 37 F LIG 1 4.992 4.458 0.082 0.00 0.00 -0.164 F ATOM 38 F LIG 1 4.115 4.765 -1.897 0.00 0.00 -0.164 F ATOM 39 F LIG 1 6.181 4.099 -1.709 0.00 0.00 -0.164 F ENDBRANCH 34 36 BRANCH 32 40 ATOM 40 C LIG 1 4.386 -0.950 -2.235 0.00 0.00 +0.083 C ATOM 41 C LIG 1 5.837 -1.423 -2.112 0.00 0.00 +0.030 C ATOM 42 C LIG 1 3.903 -1.018 -3.683 0.00 0.00 +0.030 C ENDBRANCH 32 40 ENDBRANCH 28 31 ENDBRANCH 23 25 ENDBRANCH 10 23 TORSDOF 8