REMARK Name = BDB020770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.232 -0.252 0.087 0.00 0.00 +0.001 A ATOM 2 C LIG 1 2.082 -0.280 -1.286 0.00 0.00 +0.100 A ATOM 3 N LIG 1 0.747 -0.144 -1.625 0.00 0.00 -0.317 N ATOM 4 C LIG 1 0.044 -0.042 -0.425 0.00 0.00 +0.048 A ATOM 5 C LIG 1 -1.366 0.092 -0.483 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -1.979 0.154 -1.681 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -1.231 0.072 -2.948 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -2.053 0.216 -4.205 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.122 -0.096 -2.902 0.00 0.00 +0.056 A ATOM 10 C LIG 1 0.930 -0.107 0.627 0.00 0.00 +0.036 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.795 -1.196 2.673 0.00 0.00 +0.166 A ATOM 12 C LIG 1 5.947 -0.614 2.119 0.00 0.00 +0.204 A ATOM 13 C LIG 1 5.905 0.052 0.883 0.00 0.00 +0.166 A ATOM 14 C LIG 1 4.679 0.171 0.222 0.00 0.00 +0.058 A ATOM 15 C LIG 1 3.512 -0.385 0.770 0.00 0.00 -0.009 A ATOM 16 C LIG 1 3.580 -1.066 1.996 0.00 0.00 +0.058 A BRANCH 11 18 ATOM 17 C LIG 1 3.873 -2.636 4.335 0.00 0.00 +0.277 C ATOM 18 O LIG 1 4.957 -1.843 3.872 0.00 0.00 -0.491 OA ENDBRANCH 11 18 BRANCH 12 19 ATOM 19 O LIG 1 7.156 -0.768 2.762 0.00 0.00 -0.488 OA ATOM 20 C LIG 1 7.372 0.327 3.650 0.00 0.00 +0.277 C ENDBRANCH 12 19 BRANCH 13 21 ATOM 21 O LIG 1 7.092 0.564 0.425 0.00 0.00 -0.491 OA ATOM 22 C LIG 1 7.127 1.018 -0.921 0.00 0.00 +0.277 C ENDBRANCH 13 21 ENDBRANCH 1 15 BRANCH 6 23 ATOM 23 C LIG 1 -3.469 0.262 -1.646 0.00 0.00 +0.245 C ATOM 24 N LIG 1 -3.923 1.417 -1.062 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -3.264 2.075 -0.661 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 -4.188 -0.607 -2.124 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 -5.325 1.667 -0.820 0.00 0.00 +0.145 C BRANCH 27 28 ATOM 28 C LIG 1 -5.654 1.286 0.593 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.167 2.258 1.628 0.00 0.00 +0.254 A ATOM 30 O LIG 1 -4.503 3.247 1.330 0.00 0.00 -0.268 OA ATOM 31 N LIG 1 -5.484 1.980 2.933 0.00 0.00 -0.326 N ATOM 32 H LIG 1 -5.147 2.649 3.614 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -6.189 0.876 3.343 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -6.432 0.727 4.812 0.00 0.00 +0.063 C ATOM 35 C LIG 1 -6.614 -0.002 2.423 0.00 0.00 +0.024 A ATOM 36 C LIG 1 -6.350 0.202 1.005 0.00 0.00 -0.039 A ATOM 37 C LIG 1 -6.899 -0.876 0.110 0.00 0.00 +0.044 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 6 23 BRANCH 9 38 ATOM 38 C LIG 1 0.973 -0.242 -4.160 0.00 0.00 +0.162 C ATOM 39 C LIG 1 1.747 1.041 -4.465 0.00 0.00 +0.044 C BRANCH 38 40 ATOM 40 O LIG 1 1.911 -1.322 -4.073 0.00 0.00 -0.374 OA ATOM 41 C LIG 1 1.303 -2.603 -4.194 0.00 0.00 +0.194 C ENDBRANCH 38 40 ENDBRANCH 9 38 TORSDOF 9