REMARK Name = BDB029295 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.813 -1.246 0.203 0.00 0.00 -0.032 A ATOM 2 C LIG 1 4.193 -1.924 -0.875 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.798 -1.894 -1.072 0.00 0.00 +0.061 A ATOM 4 C LIG 1 2.039 -1.173 -0.155 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.561 -0.960 -0.093 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.383 -0.131 1.093 0.00 0.00 -0.263 N ATOM 7 C LIG 1 1.610 0.152 1.702 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.888 0.812 2.687 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.647 -0.516 0.906 0.00 0.00 +0.043 A ATOM 10 C LIG 1 4.015 -0.536 1.112 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.901 0.283 1.542 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.059 -0.037 0.807 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.368 0.329 1.209 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -3.464 1.070 2.400 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.336 1.405 3.147 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.067 1.013 2.720 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.683 -0.048 0.314 0.00 0.00 +0.006 C ATOM 18 C LIG 1 -4.699 -1.511 -0.275 0.00 0.00 +0.033 C ATOM 19 C LIG 1 -5.654 -1.957 0.863 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -6.855 -2.763 0.376 0.00 0.00 +0.027 C ATOM 21 C LIG 1 -5.971 -0.460 1.126 0.00 0.00 +0.033 C BRANCH 19 22 ATOM 22 C LIG 1 -4.992 -2.631 1.971 0.00 0.00 +0.069 C ATOM 23 N LIG 1 -4.469 -3.170 2.856 0.00 0.00 -0.196 NA ENDBRANCH 19 22 BRANCH 17 24 ATOM 24 C LIG 1 -4.856 1.090 -0.721 0.00 0.00 +0.088 C BRANCH 24 25 ATOM 25 C LIG 1 -6.122 1.065 -1.508 0.00 0.00 +0.134 A ATOM 26 N LIG 1 -7.129 1.994 -1.423 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -7.184 3.160 -0.583 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -8.092 1.592 -2.296 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -7.711 0.485 -2.887 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -6.469 0.161 -2.401 0.00 0.00 -0.135 NA ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 31 ATOM 31 C LIG 1 2.144 -2.613 -2.221 0.00 0.00 +0.418 C ATOM 32 F LIG 1 3.024 -3.233 -3.053 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.277 -3.574 -1.800 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.413 -1.772 -3.003 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 6.318 -1.292 0.387 0.00 0.00 +0.119 C BRANCH 35 41 ATOM 36 C LIG 1 9.130 2.103 -0.304 0.00 0.00 +0.039 C ATOM 37 C LIG 1 7.629 2.190 -0.570 0.00 0.00 +0.129 C ATOM 38 O LIG 1 7.424 2.137 -1.994 0.00 0.00 -0.374 OA ATOM 39 C LIG 1 6.707 0.978 -2.432 0.00 0.00 +0.175 C ATOM 40 C LIG 1 7.173 -0.307 -1.730 0.00 0.00 +0.113 C ATOM 41 N LIG 1 7.087 -0.234 -0.266 0.00 0.00 -0.294 NA ATOM 42 C LIG 1 6.822 1.127 0.214 0.00 0.00 +0.116 C ENDBRANCH 35 41 ENDBRANCH 1 35 TORSDOF 8