REMARK Name = BDB014016 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.901 -0.783 0.550 0.00 0.00 +0.160 C ATOM 2 C LIG 1 2.039 0.250 -0.210 0.00 0.00 +0.240 C ATOM 3 O LIG 1 2.045 1.431 0.160 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.313 -0.188 -1.321 0.00 0.00 -0.265 N ATOM 5 C LIG 1 1.274 -1.562 -1.722 0.00 0.00 +0.040 A ATOM 6 C LIG 1 1.071 -2.585 -0.773 0.00 0.00 -0.026 A ATOM 7 C LIG 1 1.059 -3.927 -1.185 0.00 0.00 +0.005 A ATOM 8 C LIG 1 1.234 -4.259 -2.526 0.00 0.00 +0.000 A ATOM 9 C LIG 1 1.418 -3.254 -3.468 0.00 0.00 +0.002 A ATOM 10 C LIG 1 0.812 -2.259 0.674 0.00 0.00 +0.039 C ATOM 11 C LIG 1 1.434 -1.916 -3.068 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.060 -1.751 1.382 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.964 -0.590 1.939 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.826 -0.035 1.406 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.654 0.964 1.485 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 5.266 -1.772 1.782 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 5.841 0.403 2.733 0.00 0.00 +0.137 C ATOM 18 C LIG 1 6.700 1.198 1.754 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 5.997 -0.788 4.845 0.00 0.00 +0.101 C ATOM 20 N LIG 1 6.727 -0.317 3.674 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 7.090 -1.136 3.175 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.684 0.836 -2.179 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -0.784 0.575 -2.509 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.784 0.583 -1.482 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -3.117 0.249 -1.821 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -4.119 0.215 -0.834 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -3.849 0.533 0.503 0.00 0.00 -0.042 A ATOM 28 C LIG 1 -2.543 0.885 0.843 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -3.445 -0.043 -3.147 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -2.483 0.009 -4.154 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -1.538 0.916 -0.131 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -1.159 0.323 -3.850 0.00 0.00 +0.125 A BRANCH 32 33 ATOM 33 O LIG 1 -0.166 0.419 -4.792 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 -0.500 0.134 -6.144 0.00 0.00 +0.277 C ENDBRANCH 32 33 BRANCH 27 35 ATOM 35 C LIG 1 -4.942 0.471 1.542 0.00 0.00 +0.075 C BRANCH 35 36 ATOM 36 C LIG 1 -5.255 1.870 1.939 0.00 0.00 +0.021 A ATOM 37 C LIG 1 -4.976 2.488 3.142 0.00 0.00 +0.138 A ATOM 38 C LIG 1 -4.299 2.068 4.383 0.00 0.00 +0.089 C ATOM 39 O LIG 1 -5.443 3.763 3.121 0.00 0.00 -0.359 OA ATOM 40 N LIG 1 -6.054 4.012 1.910 0.00 0.00 -0.083 NA ATOM 41 C LIG 1 -5.944 2.880 1.205 0.00 0.00 +0.084 A ATOM 42 C LIG 1 -6.504 2.815 -0.165 0.00 0.00 +0.069 C ENDBRANCH 35 36 ENDBRANCH 27 35 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8