REMARK Name = BDB024904 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.285 -0.339 -1.876 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.110 -1.006 -1.504 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.152 -2.473 -1.589 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.526 -3.100 -0.243 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.855 -3.021 -2.177 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.665 -2.619 -1.332 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.710 -1.170 -0.932 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.539 -0.560 -0.425 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.707 -1.109 -0.268 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.474 -0.165 0.247 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.744 1.001 0.426 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.551 0.757 0.009 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.716 1.523 -0.015 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.876 0.916 -0.517 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.901 -0.402 -1.001 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.367 -0.904 -2.019 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.253 2.258 0.975 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.163 3.427 -0.017 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.889 4.673 0.519 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.866 4.793 2.050 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.658 4.092 2.663 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.641 2.595 2.347 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.293 5.920 -0.096 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.112 6.221 -0.133 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.228 6.742 -0.609 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.713 7.505 -0.948 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.294 1.650 -2.616 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.118 0.985 -2.154 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.935 -0.307 0.601 0.00 0.00 +0.214 C BRANCH 29 30 ATOM 30 C LIG 1 -3.553 -1.615 0.158 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -3.489 -2.781 0.908 0.00 0.00 +0.130 A ATOM 32 O LIG 1 -2.912 -2.874 2.155 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -2.799 -4.302 2.365 0.00 0.00 +0.234 C ATOM 34 C LIG 1 -3.855 -5.012 1.521 0.00 0.00 +0.080 C ATOM 35 C LIG 1 -4.037 -3.982 0.474 0.00 0.00 -0.002 A ATOM 36 C LIG 1 -4.685 -4.072 -0.742 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -4.756 -2.925 -1.532 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -4.193 -1.713 -1.092 0.00 0.00 +0.010 A ENDBRANCH 29 30 BRANCH 29 39 ATOM 39 O LIG 1 -3.039 -0.112 2.013 0.00 0.00 -0.379 OA ATOM 40 H LIG 1 -2.824 -0.981 2.406 0.00 0.00 +0.211 HD ENDBRANCH 29 39 ENDBRANCH 10 29 TORSDOF 7