REMARK Name = BDB064374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.391 0.785 -0.929 0.00 0.00 -0.287 N ATOM 2 C LIG 1 0.505 0.181 -1.821 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.819 -0.211 -2.941 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.889 -0.044 -1.368 0.00 0.00 +0.079 A ATOM 5 C LIG 1 -1.483 -1.281 -1.653 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -2.794 -1.555 -1.239 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.508 -0.562 -0.550 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.929 0.689 -0.282 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -1.608 0.940 -0.679 0.00 0.00 +0.140 A ATOM 10 O LIG 1 -1.068 2.181 -0.472 0.00 0.00 -0.489 OA ATOM 11 C LIG 1 -0.054 2.195 0.540 0.00 0.00 +0.248 C ATOM 12 C LIG 1 0.989 1.076 0.452 0.00 0.00 +0.149 C ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 4.532 -1.828 0.474 0.00 0.00 +0.138 A ATOM 14 C LIG 1 3.587 -1.101 -0.243 0.00 0.00 +0.054 A ATOM 15 C LIG 1 3.797 0.254 -0.544 0.00 0.00 -0.002 A ATOM 16 C LIG 1 2.780 1.039 -1.353 0.00 0.00 +0.109 C ATOM 17 C LIG 1 3.058 2.553 -1.384 0.00 0.00 +0.028 C ATOM 18 C LIG 1 4.540 2.827 -1.605 0.00 0.00 +0.008 C ATOM 19 C LIG 1 5.347 2.259 -0.443 0.00 0.00 +0.056 C ATOM 20 C LIG 1 5.011 0.822 -0.143 0.00 0.00 +0.046 A ATOM 21 N LIG 1 5.943 0.138 0.566 0.00 0.00 -0.256 NA ATOM 22 C LIG 1 5.684 -1.161 0.856 0.00 0.00 +0.156 A BRANCH 13 24 ATOM 23 C LIG 1 5.168 -3.896 1.444 0.00 0.00 +0.277 C ATOM 24 O LIG 1 4.211 -3.131 0.720 0.00 0.00 -0.494 OA ENDBRANCH 13 24 ENDBRANCH 1 16 BRANCH 8 25 ATOM 25 C LIG 1 -3.708 1.680 0.430 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -4.115 1.731 1.794 0.00 0.00 +0.173 A ATOM 27 N LIG 1 -4.843 2.843 2.030 0.00 0.00 -0.167 NA ATOM 28 N LIG 1 -4.877 3.479 0.845 0.00 0.00 -0.273 N ATOM 29 C LIG 1 -5.573 4.739 0.736 0.00 0.00 +0.172 C ATOM 30 C LIG 1 -4.217 2.821 -0.147 0.00 0.00 +0.117 A BRANCH 26 31 ATOM 31 C LIG 1 -3.791 0.713 2.852 0.00 0.00 +0.437 C ATOM 32 F LIG 1 -4.342 -0.499 2.565 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -4.223 1.054 4.094 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -2.447 0.509 2.952 0.00 0.00 -0.164 F ENDBRANCH 26 31 ENDBRANCH 8 25 BRANCH 6 35 ATOM 35 C LIG 1 -3.415 -2.904 -1.506 0.00 0.00 +0.157 C BRANCH 35 36 ATOM 36 N LIG 1 -2.944 -3.895 -0.556 0.00 0.00 -0.332 N ATOM 37 C LIG 1 -3.410 -4.069 0.716 0.00 0.00 +0.199 A ATOM 38 N LIG 1 -2.804 -5.070 1.314 0.00 0.00 -0.244 NA ATOM 39 C LIG 1 -1.915 -5.559 0.392 0.00 0.00 +0.130 A ATOM 40 C LIG 1 -1.989 -4.848 -0.782 0.00 0.00 +0.107 A ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 6