REMARK Name = BDB027433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.615 0.126 1.135 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.299 0.473 0.130 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.129 1.732 -0.457 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.856 2.611 -0.151 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.752 2.249 0.795 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.647 1.027 1.458 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.825 3.227 1.070 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.109 2.830 1.488 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.102 3.776 1.740 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.312 3.362 2.139 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.846 5.130 1.580 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.803 6.035 1.825 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -3.594 5.557 1.160 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -2.595 4.611 0.905 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.335 -0.418 -0.227 0.00 0.00 -0.326 N ATOM 16 C LIG 1 2.628 -0.013 0.406 0.00 0.00 +0.133 C ATOM 17 C LIG 1 3.901 -0.620 -0.305 0.00 0.00 +0.077 C ATOM 18 C LIG 1 3.481 -1.984 -0.905 0.00 0.00 +0.031 C ATOM 19 C LIG 1 2.344 -1.859 -1.929 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.412 -0.671 -1.672 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 4.477 0.316 -1.384 0.00 0.00 +0.085 A ATOM 22 N LIG 1 4.007 1.582 -1.450 0.00 0.00 -0.152 NA ATOM 23 N LIG 1 4.486 2.462 -2.382 0.00 0.00 -0.157 NA ATOM 24 C LIG 1 5.449 2.067 -3.232 0.00 0.00 +0.135 A ATOM 25 C LIG 1 5.978 0.795 -3.200 0.00 0.00 +0.023 A ATOM 26 C LIG 1 5.485 -0.097 -2.254 0.00 0.00 +0.028 A ENDBRANCH 17 21 BRANCH 17 27 ATOM 27 N LIG 1 4.941 -0.876 0.728 0.00 0.00 -0.319 NA ATOM 28 H LIG 1 5.763 -1.296 0.299 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 5.245 0.021 1.112 0.00 0.00 +0.119 HD ENDBRANCH 17 27 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -0.559 -1.202 1.846 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -4.273 -3.978 0.447 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -2.945 -3.522 0.480 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -1.801 -3.934 -0.175 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -0.857 -3.129 0.265 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -1.341 -2.207 1.154 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -2.679 -2.446 1.313 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -3.550 -1.788 2.097 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -4.789 -2.309 1.974 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -5.196 -3.340 1.202 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -4.692 -5.045 -0.340 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -5.682 -5.000 -0.539 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -4.064 -5.240 -1.111 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 7