REMARK Name = BDB027332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.828 0.703 -0.922 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.254 1.453 -0.432 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.060 2.544 0.384 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.312 2.938 0.720 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.349 2.213 0.241 0.00 0.00 +0.074 A ATOM 6 C LIG 1 -2.136 1.113 -0.591 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.690 2.692 0.635 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -4.791 1.831 0.795 0.00 0.00 +0.135 A ATOM 9 F LIG 1 -4.656 0.510 0.607 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -6.050 2.298 1.168 0.00 0.00 +0.077 A ATOM 11 C LIG 1 -6.230 3.653 1.394 0.00 0.00 +0.126 A ATOM 12 F LIG 1 -7.436 4.110 1.752 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -5.174 4.542 1.257 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.914 4.064 0.882 0.00 0.00 +0.015 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.576 1.083 -0.751 0.00 0.00 -0.327 N ATOM 16 C LIG 1 2.164 0.243 0.329 0.00 0.00 +0.129 C ATOM 17 C LIG 1 3.714 0.016 0.143 0.00 0.00 +0.064 C ATOM 18 C LIG 1 4.089 0.228 -1.338 0.00 0.00 +0.028 C ATOM 19 C LIG 1 3.662 1.599 -1.884 0.00 0.00 +0.021 C ATOM 20 C LIG 1 2.448 2.188 -1.164 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 4.447 1.034 0.952 0.00 0.00 -0.321 NA ATOM 22 H LIG 1 4.281 0.814 1.940 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 5.453 0.961 0.813 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 17 24 ATOM 24 C LIG 1 4.048 -1.423 0.657 0.00 0.00 +0.202 C BRANCH 24 25 ATOM 25 C LIG 1 5.465 -1.913 0.354 0.00 0.00 +0.371 C ATOM 26 F LIG 1 5.632 -3.125 0.959 0.00 0.00 -0.206 F ATOM 27 F LIG 1 5.627 -2.135 -0.972 0.00 0.00 -0.206 F ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 O LIG 1 3.816 -1.458 2.086 0.00 0.00 -0.384 OA ATOM 29 H LIG 1 4.041 -2.364 2.379 0.00 0.00 +0.210 HD ENDBRANCH 24 28 ENDBRANCH 17 24 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -0.598 -0.453 -1.871 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -2.388 -4.480 0.153 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -2.312 -3.424 -0.770 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -3.073 -3.097 -1.876 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -2.519 -2.002 -2.351 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -1.445 -1.603 -1.598 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -1.276 -2.519 -0.597 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -0.324 -2.548 0.350 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -0.500 -3.600 1.174 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -1.451 -4.559 1.125 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -3.367 -5.464 0.104 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -3.811 -5.546 -0.803 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -3.081 -6.314 0.572 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 9