REMARK Name = BDB035483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.379 2.103 -0.432 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.222 1.022 0.221 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.261 0.107 0.863 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.671 1.166 0.040 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.683 0.329 0.476 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.003 0.686 0.174 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.256 1.868 -0.564 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.215 2.711 -0.997 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.915 2.331 -0.678 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.618 3.005 -0.993 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.106 1.624 -0.239 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.721 1.383 -0.170 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.774 2.349 -0.545 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.247 3.573 -1.039 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.616 3.836 -1.113 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.537 2.875 -0.706 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.160 0.608 0.195 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 -5.720 0.868 1.567 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -5.034 0.982 2.752 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -3.619 0.901 3.000 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -5.974 1.204 3.713 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -7.167 1.223 3.170 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -7.009 1.012 1.824 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 26 ATOM 24 C LIG 1 -5.104 -2.691 -1.019 0.00 0.00 +0.118 C ATOM 25 C LIG 1 -4.446 -1.349 -1.414 0.00 0.00 +0.036 C ATOM 26 C LIG 1 -4.717 -0.850 0.033 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -5.851 -1.913 0.088 0.00 0.00 +0.036 C BRANCH 24 29 ATOM 28 C LIG 1 -4.774 -4.960 -0.222 0.00 0.00 +0.194 C ATOM 29 O LIG 1 -4.187 -3.717 -0.578 0.00 0.00 -0.380 OA ENDBRANCH 24 29 ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.486 3.963 -1.787 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.990 3.888 -3.053 0.00 0.00 -0.166 F ATOM 32 F LIG 1 4.806 4.264 -1.913 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.901 5.059 -1.227 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.155 -0.199 0.603 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.721 -0.888 -0.558 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 4.957 -1.334 -1.066 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.807 -1.810 -0.184 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.111 -2.692 -1.433 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.103 -3.914 -0.491 0.00 0.00 +0.004 C ATOM 40 C LIG 1 6.220 -3.092 0.471 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.021 -1.150 0.444 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9