REMARK Name = BDB010988 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.480 -0.380 -1.233 0.00 0.00 -0.267 N ATOM 2 C LIG 1 0.790 -0.965 -1.243 0.00 0.00 +0.266 A ATOM 3 O LIG 1 1.061 -2.113 -0.896 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 1.914 -0.092 -1.656 0.00 0.00 +0.066 A ATOM 5 C LIG 1 1.644 1.240 -1.969 0.00 0.00 +0.089 A ATOM 6 C LIG 1 2.701 2.078 -2.354 0.00 0.00 +0.081 A ATOM 7 C LIG 1 4.011 1.558 -2.417 0.00 0.00 +0.019 A ATOM 8 C LIG 1 4.285 0.223 -2.088 0.00 0.00 -0.032 A ATOM 9 N LIG 1 0.342 1.746 -1.913 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 3.219 -0.600 -1.711 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.615 0.949 -1.573 0.00 0.00 +0.207 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -3.909 -1.242 0.150 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -2.731 -0.543 -0.206 0.00 0.00 +0.031 A ATOM 14 C LIG 1 -1.643 -1.145 -0.872 0.00 0.00 +0.051 A ATOM 15 C LIG 1 -1.740 -2.505 -1.182 0.00 0.00 +0.026 A ATOM 16 C LIG 1 -2.890 -3.227 -0.871 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -3.954 -2.600 -0.226 0.00 0.00 +0.005 A BRANCH 12 20 ATOM 18 C LIG 1 -5.848 1.238 -0.036 0.00 0.00 +0.017 C ATOM 19 C LIG 1 -6.392 -0.210 0.046 0.00 0.00 +0.025 C ATOM 20 C LIG 1 -5.149 -0.567 0.941 0.00 0.00 +0.056 C ATOM 21 C LIG 1 -5.125 0.961 1.302 0.00 0.00 +0.025 C BRANCH 20 22 ATOM 22 C LIG 1 -5.516 -1.433 2.216 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -4.704 -1.731 3.276 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -3.337 -1.342 3.479 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -5.450 -2.498 4.116 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -6.649 -2.663 3.609 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.691 -1.997 2.409 0.00 0.00 -0.134 NA ENDBRANCH 20 22 BRANCH 18 28 ATOM 28 C LIG 1 -6.877 2.355 -0.021 0.00 0.00 +0.163 C BRANCH 28 30 ATOM 29 C LIG 1 -8.512 3.391 -1.365 0.00 0.00 +0.193 C ATOM 30 O LIG 1 -7.494 2.400 -1.306 0.00 0.00 -0.383 OA ENDBRANCH 28 30 ENDBRANCH 18 28 ENDBRANCH 12 20 ENDBRANCH 1 14 BRANCH 6 31 ATOM 31 C LIG 1 2.442 3.524 -2.690 0.00 0.00 +0.419 C ATOM 32 F LIG 1 1.614 3.695 -3.757 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.902 4.231 -1.658 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.586 4.198 -3.018 0.00 0.00 -0.166 F ENDBRANCH 6 31 BRANCH 8 35 ATOM 35 C LIG 1 5.699 -0.320 -2.145 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 N LIG 1 6.478 -0.247 -0.909 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 5.947 -1.015 0.211 0.00 0.00 +0.088 C ATOM 38 C LIG 1 7.056 -1.283 1.252 0.00 0.00 +0.000 C ATOM 39 C LIG 1 7.811 -2.580 0.950 0.00 0.00 +0.009 C ATOM 40 C LIG 1 8.051 -0.109 1.362 0.00 0.00 +0.006 C ATOM 41 C LIG 1 7.402 1.195 0.922 0.00 0.00 +0.016 C ATOM 42 C LIG 1 6.899 1.104 -0.527 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 8