REMARK Name = BDB035515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.605 0.618 0.653 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.652 1.093 1.043 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.981 2.093 1.654 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.644 0.116 0.574 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.020 0.148 0.716 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.758 -0.913 0.174 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.084 -1.961 -0.499 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.683 -1.978 -0.632 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.978 -0.913 -0.079 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.492 -0.646 -0.062 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.313 1.244 0.685 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.056 0.643 0.467 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.859 1.249 0.887 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.951 2.486 1.535 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.188 3.101 1.751 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.362 2.488 1.327 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.585 0.544 0.214 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 -5.398 -1.103 2.868 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.506 -0.287 2.450 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.624 0.454 1.300 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -7.797 1.059 1.317 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -8.444 0.717 2.478 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -7.656 -0.089 3.149 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.133 1.281 -1.013 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.319 1.146 -2.312 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -6.219 0.122 -2.803 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -7.202 0.506 -1.806 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 0.969 -3.088 -1.356 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -0.024 -3.636 -0.601 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.365 -2.652 -2.495 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.775 -4.119 -1.722 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.269 -0.929 0.278 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.867 -0.647 -1.027 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.441 0.204 -1.395 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.338 -0.601 -0.968 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.833 0.005 -2.317 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.772 0.909 -1.491 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.807 0.723 -0.301 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.005 -1.905 -0.569 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8