REMARK Name = BDB019885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.296 -1.376 0.237 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.058 -0.900 0.685 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.416 0.353 0.275 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.365 1.139 -0.581 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.607 0.675 -1.044 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.065 -0.583 -0.624 0.00 0.00 +0.014 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -2.338 -4.332 1.988 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -2.638 -4.792 0.761 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -2.287 -3.787 -0.071 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -1.778 -2.675 0.666 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -1.820 -3.072 1.985 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -2.430 -3.888 -1.566 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -3.461 -3.124 -2.025 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -2.662 -5.154 -2.009 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -1.316 -3.454 -2.219 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -4.008 -5.089 3.633 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -2.571 -5.170 3.149 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.735 0.812 0.796 0.00 0.00 +0.244 C ATOM 19 N LIG 1 2.401 1.757 0.046 0.00 0.00 -0.307 N ATOM 20 H LIG 1 2.078 1.966 -0.888 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 2.186 0.327 1.828 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.742 2.180 0.379 0.00 0.00 +0.139 C BRANCH 22 23 ATOM 23 C LIG 1 4.757 1.460 -0.473 0.00 0.00 -0.030 A ATOM 24 C LIG 1 5.159 0.155 -0.137 0.00 0.00 +0.011 A ATOM 25 C LIG 1 6.078 -0.542 -0.932 0.00 0.00 -0.015 A ATOM 26 C LIG 1 6.530 -1.920 -0.559 0.00 0.00 +0.047 C ATOM 27 C LIG 1 6.602 0.093 -2.059 0.00 0.00 +0.126 A ATOM 28 F LIG 1 7.500 -0.542 -2.826 0.00 0.00 -0.205 F ATOM 29 C LIG 1 6.210 1.380 -2.413 0.00 0.00 +0.039 A ATOM 30 C LIG 1 5.284 2.063 -1.625 0.00 0.00 +0.008 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 31 ATOM 31 C LIG 1 -2.448 1.541 -1.960 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -3.064 2.627 -1.230 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -2.521 3.911 -1.146 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -1.438 4.327 -1.699 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -1.306 5.310 -1.459 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -3.414 4.609 -0.325 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -3.227 5.960 0.141 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -4.425 3.752 0.095 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -4.215 2.550 -0.458 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8