REMARK Name = BDB038489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.846 0.687 0.903 0.00 0.00 -0.248 N ATOM 2 C LIG 1 -0.169 0.110 -0.161 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.527 -0.719 -0.977 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.185 0.680 -0.154 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.232 0.425 -1.021 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.442 1.095 -0.800 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.551 2.000 0.286 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.475 2.249 1.160 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.287 1.567 0.914 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.012 1.611 1.656 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.347 -0.553 1.023 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -3.038 -0.350 0.573 0.00 0.00 +0.054 A ATOM 13 C LIG 1 -2.177 0.465 1.301 0.00 0.00 +0.130 A ATOM 14 N LIG 1 -2.577 1.080 2.434 0.00 0.00 -0.220 NA ATOM 15 C LIG 1 -3.850 0.885 2.834 0.00 0.00 +0.132 A ATOM 16 CL LIG 1 -4.266 1.704 4.284 0.00 0.00 -0.062 Cl ATOM 17 C LIG 1 -4.763 0.083 2.187 0.00 0.00 +0.050 A BRANCH 11 19 ATOM 18 C LIG 1 -6.467 -1.141 -0.360 0.00 0.00 +0.064 A ATOM 19 C LIG 1 -5.265 -1.416 0.279 0.00 0.00 +0.079 A ATOM 20 N LIG 1 -5.059 -2.765 0.076 0.00 0.00 -0.266 N ATOM 21 C LIG 1 -3.958 -3.572 0.554 0.00 0.00 +0.173 C ATOM 22 N LIG 1 -6.033 -3.362 -0.640 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -6.883 -2.370 -0.903 0.00 0.00 +0.146 A BRANCH 18 26 ATOM 24 C LIG 1 -9.225 -0.253 -1.820 0.00 0.00 +0.152 C ATOM 25 N LIG 1 -8.336 0.589 -1.070 0.00 0.00 -0.316 N ATOM 26 C LIG 1 -7.162 0.254 -0.445 0.00 0.00 +0.167 A ATOM 27 N LIG 1 -6.674 1.346 0.114 0.00 0.00 -0.129 NA ATOM 28 N LIG 1 -7.529 2.391 -0.136 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -8.521 1.921 -0.850 0.00 0.00 +0.225 A ENDBRANCH 18 26 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.601 3.200 2.319 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.418 2.580 3.516 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.811 3.819 2.395 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.674 4.196 2.270 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 4.629 0.858 -1.712 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 5.788 0.327 -0.996 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 6.984 0.293 -1.853 0.00 0.00 +0.091 C ATOM 37 C LIG 1 7.849 -0.732 -1.156 0.00 0.00 -0.015 C ATOM 38 C LIG 1 8.947 -1.445 -1.915 0.00 0.00 +0.009 C ATOM 39 C LIG 1 9.304 -0.440 -0.859 0.00 0.00 +0.009 C ATOM 40 C LIG 1 7.013 -1.470 -0.150 0.00 0.00 +0.023 C ATOM 41 C LIG 1 5.596 -1.052 -0.523 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 6