REMARK Name = BDB014957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.225 0.585 1.020 0.00 0.00 -0.296 N ATOM 2 H LIG 1 -0.375 1.041 1.915 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 -6.323 3.546 2.338 0.00 0.00 +0.109 C ATOM 4 C LIG 1 -4.896 3.076 2.456 0.00 0.00 +0.213 C ATOM 5 N LIG 1 -4.432 2.188 1.494 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.062 1.679 1.700 0.00 0.00 +0.148 C ATOM 7 C LIG 1 -2.539 1.051 0.458 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -1.252 0.544 0.139 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.240 0.051 -1.104 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -2.481 0.249 -1.585 0.00 0.00 -0.261 N ATOM 11 C LIG 1 -3.303 0.826 -0.667 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.733 1.190 -0.801 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -5.323 1.405 0.609 0.00 0.00 +0.114 C ATOM 14 O LIG 1 -4.185 3.486 3.374 0.00 0.00 -0.276 OA BRANCH 10 15 ATOM 15 C LIG 1 -2.817 -0.149 -2.943 0.00 0.00 +0.135 C ATOM 16 C LIG 1 -3.134 -1.638 -3.037 0.00 0.00 +0.186 C ATOM 17 O LIG 1 -2.153 -2.250 -3.893 0.00 0.00 -0.378 OA ATOM 18 C LIG 1 -1.067 -1.326 -4.026 0.00 0.00 +0.162 C ATOM 19 C LIG 1 -1.700 0.044 -3.956 0.00 0.00 +0.057 C ENDBRANCH 10 15 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 1.104 0.108 0.940 0.00 0.00 +0.068 A ATOM 21 C LIG 1 1.972 0.362 2.015 0.00 0.00 +0.145 A ATOM 22 F LIG 1 1.508 1.041 3.079 0.00 0.00 -0.204 F ATOM 23 C LIG 1 3.299 -0.063 2.023 0.00 0.00 +0.049 A ATOM 24 C LIG 1 3.801 -0.773 0.932 0.00 0.00 -0.012 A ATOM 25 C LIG 1 2.958 -1.038 -0.152 0.00 0.00 +0.010 A ATOM 26 C LIG 1 1.624 -0.601 -0.145 0.00 0.00 +0.027 A BRANCH 24 27 ATOM 27 C LIG 1 5.178 -1.225 0.922 0.00 0.00 +0.032 A ATOM 28 C LIG 1 5.747 -2.515 0.694 0.00 0.00 +0.173 A ATOM 29 N LIG 1 7.095 -2.460 0.766 0.00 0.00 -0.167 NA ATOM 30 N LIG 1 7.365 -1.174 1.043 0.00 0.00 -0.273 N ATOM 31 C LIG 1 8.738 -0.754 1.191 0.00 0.00 +0.172 C ATOM 32 C LIG 1 6.254 -0.395 1.151 0.00 0.00 +0.117 A BRANCH 28 33 ATOM 33 C LIG 1 5.002 -3.794 0.417 0.00 0.00 +0.437 C ATOM 34 F LIG 1 4.478 -3.810 -0.840 0.00 0.00 -0.164 F ATOM 35 F LIG 1 3.957 -3.971 1.272 0.00 0.00 -0.164 F ATOM 36 F LIG 1 5.776 -4.908 0.526 0.00 0.00 -0.164 F ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 1 20 TORSDOF 5