REMARK Name = BDB032127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.526 0.899 0.262 0.00 0.00 +0.069 A ATOM 2 C LIG 1 0.370 0.620 -0.775 0.00 0.00 +0.146 A ATOM 3 F LIG 1 -0.005 0.839 -2.046 0.00 0.00 -0.203 F ATOM 4 C LIG 1 1.648 0.122 -0.530 0.00 0.00 +0.063 A ATOM 5 C LIG 1 2.058 -0.120 0.782 0.00 0.00 +0.037 A ATOM 6 C LIG 1 1.173 0.157 1.826 0.00 0.00 +0.025 A ATOM 7 C LIG 1 -0.111 0.665 1.569 0.00 0.00 +0.028 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 -2.812 1.813 0.739 0.00 0.00 +0.222 C ATOM 9 N LIG 1 -1.802 1.383 -0.102 0.00 0.00 -0.283 N ATOM 10 H LIG 1 -1.949 1.464 -1.104 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -2.746 1.891 1.960 0.00 0.00 -0.275 OA BRANCH 8 15 ATOM 12 C LIG 1 -6.828 0.092 -1.659 0.00 0.00 +0.239 C ATOM 13 N LIG 1 -6.175 1.023 -0.856 0.00 0.00 -0.297 N ATOM 14 C LIG 1 -4.853 0.819 -0.252 0.00 0.00 +0.120 C ATOM 15 C LIG 1 -4.099 2.131 -0.014 0.00 0.00 +0.093 C ATOM 16 C LIG 1 -4.971 3.132 0.747 0.00 0.00 +0.016 C ATOM 17 C LIG 1 -6.273 3.361 -0.011 0.00 0.00 +0.020 C ATOM 18 C LIG 1 -7.015 2.050 -0.237 0.00 0.00 +0.108 C ATOM 19 O LIG 1 -7.955 0.275 -2.115 0.00 0.00 -0.271 OA BRANCH 12 21 ATOM 20 C LIG 1 -6.433 -1.901 -3.039 0.00 0.00 +0.013 C ATOM 21 C LIG 1 -6.116 -1.183 -1.953 0.00 0.00 +0.060 C ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 9 BRANCH 5 22 ATOM 22 N LIG 1 3.354 -0.633 0.966 0.00 0.00 -0.280 N ATOM 23 H LIG 1 3.929 -0.778 0.140 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 3.973 -0.991 2.148 0.00 0.00 +0.267 C ATOM 25 O LIG 1 3.505 -0.932 3.278 0.00 0.00 -0.268 OA BRANCH 24 26 ATOM 26 C LIG 1 5.367 -1.510 1.940 0.00 0.00 +0.126 A ATOM 27 N LIG 1 5.824 -1.495 0.654 0.00 0.00 -0.242 NA ATOM 28 C LIG 1 7.076 -1.967 0.443 0.00 0.00 +0.076 A ATOM 29 C LIG 1 7.881 -2.451 1.473 0.00 0.00 +0.028 A ATOM 30 C LIG 1 7.385 -2.454 2.776 0.00 0.00 +0.004 A ATOM 31 C LIG 1 6.103 -1.976 3.020 0.00 0.00 +0.033 A BRANCH 28 32 ATOM 32 C LIG 1 7.521 -1.912 -0.933 0.00 0.00 +0.059 A ATOM 33 C LIG 1 8.618 -2.542 -1.471 0.00 0.00 +0.240 A ATOM 34 O LIG 1 8.710 -2.258 -2.797 0.00 0.00 -0.362 OA ATOM 35 N LIG 1 7.658 -1.435 -3.164 0.00 0.00 -0.086 NA ATOM 36 C LIG 1 6.958 -1.243 -2.042 0.00 0.00 +0.166 A ENDBRANCH 28 32 ENDBRANCH 24 26 ENDBRANCH 5 22 TORSDOF 6