REMARK Name = BDB032125 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.855 -0.345 0.849 0.00 0.00 +0.069 A ATOM 2 C LIG 1 -0.151 -0.856 -0.246 0.00 0.00 +0.146 A ATOM 3 F LIG 1 -0.826 -1.215 -1.350 0.00 0.00 -0.203 F ATOM 4 C LIG 1 1.235 -0.992 -0.234 0.00 0.00 +0.063 A ATOM 5 C LIG 1 1.957 -0.629 0.904 0.00 0.00 +0.037 A ATOM 6 C LIG 1 1.264 -0.133 2.011 0.00 0.00 +0.025 A ATOM 7 C LIG 1 -0.133 0.016 1.983 0.00 0.00 +0.028 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 -3.148 0.336 1.610 0.00 0.00 +0.222 C ATOM 9 N LIG 1 -2.255 -0.224 0.712 0.00 0.00 -0.283 N ATOM 10 H LIG 1 -2.619 -0.583 -0.166 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -2.860 0.781 2.714 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 12 C LIG 1 -6.267 1.643 -2.052 0.00 0.00 +0.239 C ATOM 13 N LIG 1 -5.999 1.380 -0.714 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -4.665 1.361 -0.105 0.00 0.00 +0.120 C ATOM 15 C LIG 1 -4.579 0.375 1.067 0.00 0.00 +0.093 C ATOM 16 C LIG 1 -5.612 0.723 2.153 0.00 0.00 +0.016 C ATOM 17 C LIG 1 -6.872 1.393 1.599 0.00 0.00 +0.020 C ATOM 18 C LIG 1 -7.129 1.023 0.144 0.00 0.00 +0.108 C ATOM 19 O LIG 1 -7.371 1.456 -2.563 0.00 0.00 -0.271 OA BRANCH 12 21 ATOM 20 C LIG 1 -5.200 2.146 -4.207 0.00 0.00 +0.013 C ATOM 21 C LIG 1 -5.145 2.185 -2.871 0.00 0.00 +0.060 C ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 9 BRANCH 5 22 ATOM 22 N LIG 1 3.353 -0.781 0.855 0.00 0.00 -0.280 N ATOM 23 H LIG 1 3.766 -1.112 -0.015 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 4.276 -0.554 1.860 0.00 0.00 +0.267 C ATOM 25 O LIG 1 4.046 -0.205 3.010 0.00 0.00 -0.268 OA BRANCH 24 26 ATOM 26 C LIG 1 5.688 -0.813 1.422 0.00 0.00 +0.126 A ATOM 27 N LIG 1 5.853 -1.118 0.101 0.00 0.00 -0.242 NA ATOM 28 C LIG 1 7.119 -1.365 -0.314 0.00 0.00 +0.076 A ATOM 29 C LIG 1 8.216 -1.328 0.545 0.00 0.00 +0.028 A ATOM 30 C LIG 1 8.012 -1.016 1.889 0.00 0.00 +0.004 A ATOM 31 C LIG 1 6.727 -0.745 2.340 0.00 0.00 +0.033 A BRANCH 28 32 ATOM 32 C LIG 1 7.251 -1.649 -1.728 0.00 0.00 +0.059 A ATOM 33 C LIG 1 8.329 -2.225 -2.356 0.00 0.00 +0.240 A ATOM 34 O LIG 1 8.092 -2.319 -3.690 0.00 0.00 -0.362 OA ATOM 35 N LIG 1 6.834 -1.810 -3.969 0.00 0.00 -0.086 NA ATOM 36 C LIG 1 6.349 -1.415 -2.789 0.00 0.00 +0.166 A ENDBRANCH 28 32 ENDBRANCH 24 26 ENDBRANCH 5 22 TORSDOF 6