REMARK Name = BDB010995 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.495 1.095 -1.117 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.366 0.318 -1.404 0.00 0.00 +0.019 A ATOM 3 C LIG 1 1.154 0.548 -0.737 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.071 1.556 0.215 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -0.224 1.726 0.864 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -1.274 1.015 0.610 0.00 0.00 -0.171 NA ATOM 7 N LIG 1 -1.208 0.005 -0.333 0.00 0.00 -0.196 N ATOM 8 C LIG 1 2.185 2.357 0.523 0.00 0.00 +0.064 A ATOM 9 C LIG 1 -0.032 -0.283 -1.046 0.00 0.00 +0.280 A ATOM 10 O LIG 1 0.123 -1.155 -1.899 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 3.392 2.112 -0.156 0.00 0.00 +0.018 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.456 -0.704 -0.499 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -3.566 -0.381 0.315 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -4.830 -1.011 0.221 0.00 0.00 -0.031 A ATOM 15 C LIG 1 -4.944 -2.016 -0.755 0.00 0.00 +0.005 A ATOM 16 C LIG 1 -3.873 -2.366 -1.573 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -2.644 -1.716 -1.444 0.00 0.00 +0.028 A BRANCH 14 18 ATOM 18 C LIG 1 -6.077 -0.612 1.149 0.00 0.00 +0.066 C ATOM 19 C LIG 1 -5.811 0.105 2.510 0.00 0.00 +0.095 C ATOM 20 C LIG 1 -6.879 -0.792 3.163 0.00 0.00 +0.251 C ATOM 21 F LIG 1 -8.104 -0.236 3.281 0.00 0.00 -0.206 F ATOM 22 F LIG 1 -6.555 -1.268 4.387 0.00 0.00 -0.206 F ATOM 23 C LIG 1 -6.686 -1.779 1.999 0.00 0.00 +0.095 C BRANCH 18 24 ATOM 24 C LIG 1 -7.165 0.143 0.272 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -7.023 1.314 -0.422 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.861 2.152 -0.530 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -8.219 1.536 -1.032 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -9.049 0.564 -0.739 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -8.384 -0.318 0.078 0.00 0.00 -0.134 NA ENDBRANCH 18 24 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 30 ATOM 30 C LIG 1 2.113 3.452 1.552 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.278 4.135 1.716 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.175 4.387 1.240 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.777 2.981 2.784 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 1 34 ATOM 34 C LIG 1 4.810 0.842 -1.830 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 6.615 -2.711 1.114 0.00 0.00 +0.009 C ATOM 36 C LIG 1 6.926 -1.456 0.302 0.00 0.00 +0.000 C ATOM 37 C LIG 1 5.642 -0.809 -0.240 0.00 0.00 +0.088 C ATOM 38 N LIG 1 5.898 0.483 -0.907 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 7.212 0.548 -1.567 0.00 0.00 +0.085 C ATOM 40 C LIG 1 7.738 -0.809 -2.023 0.00 0.00 +0.016 C ATOM 41 C LIG 1 7.891 -1.776 -0.850 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 6