REMARK Name = BDB023988 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.983 -1.048 0.515 0.00 0.00 +0.003 A ATOM 2 C LIG 1 0.196 -0.470 0.031 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.416 -1.141 0.168 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.459 -2.404 0.773 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.286 -2.979 1.264 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.930 -2.301 1.141 0.00 0.00 +0.010 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 -5.114 -4.606 -1.314 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -5.849 -3.320 -1.601 0.00 0.00 +0.213 C ATOM 9 N LIG 1 -5.219 -2.134 -1.241 0.00 0.00 -0.297 N ATOM 10 C LIG 1 -3.791 -2.088 -0.864 0.00 0.00 +0.146 C ATOM 11 C LIG 1 -3.458 -0.795 -0.205 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -2.249 -0.338 0.375 0.00 0.00 +0.098 A ATOM 13 N LIG 1 -2.375 0.928 0.801 0.00 0.00 -0.170 NA ATOM 14 N LIG 1 -3.649 1.276 0.521 0.00 0.00 -0.262 N ATOM 15 C LIG 1 -4.331 0.267 -0.093 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -5.734 0.237 -0.582 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -5.856 -0.866 -1.653 0.00 0.00 +0.114 C ATOM 18 O LIG 1 -6.966 -3.353 -2.117 0.00 0.00 -0.276 OA BRANCH 14 19 ATOM 19 C LIG 1 -4.069 2.616 0.863 0.00 0.00 +0.135 C ATOM 20 C LIG 1 -4.371 3.505 -0.336 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -5.519 4.307 0.002 0.00 0.00 -0.378 OA ATOM 22 C LIG 1 -5.791 4.121 1.395 0.00 0.00 +0.162 C ATOM 23 C LIG 1 -5.314 2.725 1.723 0.00 0.00 +0.057 C ENDBRANCH 14 19 ENDBRANCH 1 12 BRANCH 3 24 ATOM 24 C LIG 1 2.645 -0.499 -0.369 0.00 0.00 +0.248 C ATOM 25 N LIG 1 3.759 -0.626 0.442 0.00 0.00 -0.282 N ATOM 26 H LIG 1 3.613 -1.038 1.355 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 2.570 0.092 -1.438 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 5.063 -0.158 0.181 0.00 0.00 +0.034 A ATOM 29 C LIG 1 6.019 -0.326 1.187 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.340 0.107 1.006 0.00 0.00 +0.028 A ATOM 31 C LIG 1 7.728 0.717 -0.193 0.00 0.00 +0.048 A ATOM 32 C LIG 1 6.770 0.883 -1.201 0.00 0.00 +0.028 A ATOM 33 C LIG 1 5.451 0.447 -1.013 0.00 0.00 +0.025 A BRANCH 31 34 ATOM 34 N LIG 1 9.069 1.161 -0.386 0.00 0.00 -0.306 N ATOM 35 C LIG 1 10.120 1.068 0.504 0.00 0.00 +0.204 A ATOM 36 N LIG 1 11.239 1.569 0.028 0.00 0.00 -0.244 NA ATOM 37 C LIG 1 10.923 2.013 -1.222 0.00 0.00 +0.130 A ATOM 38 C LIG 1 9.598 1.776 -1.502 0.00 0.00 +0.112 A ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 5