REMARK Name = BDB024274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.037 -2.303 0.136 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.946 -3.358 -0.957 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.591 -3.038 -2.278 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.495 -4.035 -3.252 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.741 -5.364 -2.917 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.079 -5.700 -1.608 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.178 -4.705 -0.634 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.638 -2.089 0.784 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.057 -1.060 0.171 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.440 -0.610 -0.589 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.259 -2.794 1.715 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 -1.329 -0.602 0.505 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.005 -1.135 1.535 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -3.237 -0.641 1.812 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -3.852 0.385 1.103 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -3.129 0.927 0.041 0.00 0.00 +0.013 A ATOM 17 C LIG 1 -1.858 0.432 -0.261 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 -5.171 0.865 1.467 0.00 0.00 +0.021 A ATOM 19 C LIG 1 -6.071 1.461 0.606 0.00 0.00 +0.117 A ATOM 20 N LIG 1 -7.178 1.762 1.348 0.00 0.00 -0.262 N ATOM 21 N LIG 1 -7.082 1.362 2.628 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -5.860 0.829 2.703 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 -8.411 2.349 0.875 0.00 0.00 +0.256 C BRANCH 23 24 ATOM 24 C LIG 1 -8.269 3.826 0.640 0.00 0.00 +0.409 C ATOM 25 F LIG 1 -7.922 4.508 1.750 0.00 0.00 -0.169 F ATOM 26 F LIG 1 -7.354 4.096 -0.320 0.00 0.00 -0.169 F ATOM 27 F LIG 1 -9.448 4.340 0.208 0.00 0.00 -0.169 F ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 28 ATOM 28 N LIG 1 2.562 -0.981 -0.338 0.00 0.00 -0.301 NA ATOM 29 H LIG 1 2.506 -0.348 0.467 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 3.991 -1.074 -0.696 0.00 0.00 +0.089 C BRANCH 30 32 ATOM 31 C LIG 1 3.907 0.806 -2.419 0.00 0.00 +0.014 C ATOM 32 C LIG 1 4.590 0.283 -1.148 0.00 0.00 +0.030 C BRANCH 32 33 ATOM 33 C LIG 1 4.642 1.289 -0.003 0.00 0.00 -0.043 A ATOM 34 C LIG 1 5.727 1.248 0.889 0.00 0.00 +0.005 A ATOM 35 C LIG 1 5.809 2.140 1.962 0.00 0.00 +0.019 A ATOM 36 C LIG 1 4.804 3.087 2.164 0.00 0.00 +0.052 A ATOM 37 C LIG 1 3.715 3.133 1.290 0.00 0.00 +0.019 A ATOM 38 C LIG 1 3.635 2.240 0.216 0.00 0.00 +0.005 A BRANCH 36 39 ATOM 39 C LIG 1 4.888 4.006 3.261 0.00 0.00 +0.099 C ATOM 40 N LIG 1 4.957 4.752 4.147 0.00 0.00 -0.191 NA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 11