REMARK Name = BDB007883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.139 -0.031 -0.558 0.00 0.00 +0.086 A ATOM 2 C LIG 1 0.442 1.344 -0.306 0.00 0.00 +0.177 A ATOM 3 N LIG 1 -0.529 2.154 -0.780 0.00 0.00 -0.166 NA ATOM 4 N LIG 1 -1.460 1.312 -1.271 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.106 0.002 -1.160 0.00 0.00 +0.122 A ENDROOT BRANCH 1 8 ATOM 6 N LIG 1 2.228 -1.127 -0.112 0.00 0.00 -0.307 N ATOM 7 H LIG 1 2.708 -0.295 -0.430 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 0.866 -1.254 -0.248 0.00 0.00 +0.248 C ATOM 9 O LIG 1 0.295 -2.335 -0.151 0.00 0.00 -0.270 OA BRANCH 6 10 ATOM 10 C LIG 1 3.045 -2.295 0.121 0.00 0.00 +0.139 C BRANCH 10 14 ATOM 11 C LIG 1 7.133 -1.091 0.858 0.00 0.00 -0.034 A ATOM 12 C LIG 1 6.735 -1.517 -0.416 0.00 0.00 +0.005 A ATOM 13 C LIG 1 5.418 -1.917 -0.652 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.472 -1.899 0.381 0.00 0.00 -0.030 A ATOM 15 C LIG 1 4.864 -1.458 1.651 0.00 0.00 +0.005 A ATOM 16 C LIG 1 6.182 -1.062 1.888 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 8.553 -0.661 1.121 0.00 0.00 +0.113 C BRANCH 17 18 ATOM 18 N LIG 1 8.633 0.768 1.395 0.00 0.00 -0.326 NA ATOM 19 H LIG 1 8.221 1.277 0.615 0.00 0.00 +0.119 HD ATOM 20 H LIG 1 9.611 1.046 1.438 0.00 0.00 +0.119 HD ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 10 14 ENDBRANCH 6 10 ENDBRANCH 1 8 BRANCH 2 21 ATOM 21 C LIG 1 1.656 1.878 0.406 0.00 0.00 +0.437 C ATOM 22 F LIG 1 1.689 3.233 0.500 0.00 0.00 -0.164 F ATOM 23 F LIG 1 2.800 1.506 -0.238 0.00 0.00 -0.164 F ATOM 24 F LIG 1 1.754 1.394 1.672 0.00 0.00 -0.164 F ENDBRANCH 2 21 BRANCH 4 25 ATOM 25 C LIG 1 -2.674 1.840 -1.881 0.00 0.00 +0.199 C BRANCH 25 26 ATOM 26 C LIG 1 -3.799 1.860 -0.901 0.00 0.00 +0.070 A ATOM 27 N LIG 1 -4.927 1.093 -1.162 0.00 0.00 -0.242 NA ATOM 28 C LIG 1 -5.830 1.230 -0.206 0.00 0.00 +0.109 A ATOM 29 S LIG 1 -5.360 2.314 1.051 0.00 0.00 -0.075 S ATOM 30 C LIG 1 -3.870 2.598 0.264 0.00 0.00 +0.072 A BRANCH 28 31 ATOM 31 C LIG 1 -7.144 0.549 -0.210 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -7.547 -0.137 -1.369 0.00 0.00 +0.010 A ATOM 33 C LIG 1 -8.777 -0.799 -1.432 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -9.629 -0.789 -0.333 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -9.251 -0.118 0.828 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -8.019 0.544 0.889 0.00 0.00 +0.010 A ENDBRANCH 28 31 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 9