REMARK Name = BDB020482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.650 -0.955 1.461 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.850 -0.508 0.840 0.00 0.00 +0.010 A ATOM 3 C LIG 1 3.090 -0.914 1.368 0.00 0.00 +0.072 A ATOM 4 N LIG 1 4.263 -0.547 0.830 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 4.279 0.252 -0.270 0.00 0.00 +0.086 A ATOM 6 C LIG 1 3.122 0.733 -0.863 0.00 0.00 +0.081 A ATOM 7 C LIG 1 3.111 -1.732 2.489 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.939 -2.161 3.112 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.903 0.331 -0.296 0.00 0.00 +0.025 A ATOM 10 C LIG 1 0.709 -1.770 2.599 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.669 -1.228 -2.079 0.00 0.00 +0.041 C ATOM 12 C LIG 1 -3.839 -1.114 -0.565 0.00 0.00 +0.171 C ATOM 13 N LIG 1 -2.644 -0.580 0.068 0.00 0.00 -0.318 N ATOM 14 C LIG 1 -1.619 -1.412 0.457 0.00 0.00 +0.064 A ATOM 15 C LIG 1 -0.652 -0.570 0.953 0.00 0.00 +0.094 A ATOM 16 N LIG 1 -1.082 0.730 0.903 0.00 0.00 -0.232 NA ATOM 17 C LIG 1 -1.732 -2.871 0.270 0.00 0.00 +0.163 C ATOM 18 N LIG 1 -3.119 -3.260 0.490 0.00 0.00 -0.297 N ATOM 19 C LIG 1 -3.365 -4.639 0.871 0.00 0.00 +0.132 C ATOM 20 C LIG 1 -2.312 0.708 0.418 0.00 0.00 +0.115 A ATOM 21 C LIG 1 -4.177 -2.497 -0.001 0.00 0.00 +0.238 C ATOM 22 O LIG 1 -5.338 -2.910 -0.035 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.178 1.935 0.327 0.00 0.00 +0.060 C ATOM 24 C LIG 1 -4.354 1.902 1.314 0.00 0.00 +0.039 C ATOM 25 C LIG 1 -5.536 2.719 0.803 0.00 0.00 +0.160 C ATOM 26 O LIG 1 -5.072 3.888 0.139 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -4.386 3.613 -1.084 0.00 0.00 +0.160 C ATOM 28 C LIG 1 -3.641 2.279 -1.084 0.00 0.00 +0.039 C ENDBRANCH 20 23 ENDBRANCH 1 15 BRANCH 5 29 ATOM 29 C LIG 1 5.614 0.552 -0.747 0.00 0.00 +0.038 A ATOM 30 C LIG 1 6.633 1.019 0.059 0.00 0.00 +0.118 A ATOM 31 N LIG 1 7.726 1.149 -0.744 0.00 0.00 -0.274 N ATOM 32 C LIG 1 9.037 1.610 -0.357 0.00 0.00 +0.172 C ATOM 33 N LIG 1 7.501 0.785 -2.020 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 6.220 0.406 -2.014 0.00 0.00 +0.144 A ENDBRANCH 5 29 BRANCH 6 35 ATOM 35 C LIG 1 3.142 1.648 -2.046 0.00 0.00 +0.419 C ATOM 36 F LIG 1 1.914 2.163 -2.349 0.00 0.00 -0.166 F ATOM 37 F LIG 1 3.552 1.022 -3.185 0.00 0.00 -0.166 F ATOM 38 F LIG 1 3.953 2.729 -1.889 0.00 0.00 -0.166 F ENDBRANCH 6 35 TORSDOF 4