REMARK Name = BDB027204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.746 -0.777 0.047 0.00 0.00 +0.071 A ATOM 2 N LIG 1 1.560 -2.030 0.508 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.295 -2.510 0.509 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.850 -1.825 0.078 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.652 -0.507 -0.369 0.00 0.00 -0.003 A ATOM 6 C LIG 1 0.672 -0.011 -0.409 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.839 0.618 0.060 0.00 0.00 +0.155 A ATOM 8 C LIG 1 5.528 -0.728 -0.141 0.00 0.00 +0.165 A ATOM 9 F LIG 1 6.509 -1.622 -0.342 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.209 -1.179 -0.142 0.00 0.00 +0.052 A ATOM 11 C LIG 1 3.140 -0.290 0.054 0.00 0.00 +0.003 A ATOM 12 C LIG 1 3.463 1.064 0.266 0.00 0.00 +0.014 A ATOM 13 C LIG 1 4.793 1.515 0.267 0.00 0.00 +0.049 A BRANCH 7 15 ATOM 14 C LIG 1 7.518 2.295 0.257 0.00 0.00 +0.277 C ATOM 15 O LIG 1 7.169 0.935 0.036 0.00 0.00 -0.492 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -2.065 -2.505 0.139 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -2.806 -2.347 1.406 0.00 0.00 +0.123 C ATOM 18 C LIG 1 -3.728 -3.577 1.611 0.00 0.00 +0.068 C ATOM 19 C LIG 1 -4.635 -3.754 0.382 0.00 0.00 +0.021 C ATOM 20 C LIG 1 -3.842 -3.801 -0.930 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -2.901 -2.601 -1.061 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 N LIG 1 -2.941 -4.807 1.820 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 -2.382 -4.704 2.667 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -2.251 -4.858 1.066 0.00 0.00 +0.119 HD ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 5 25 ATOM 25 C LIG 1 -1.813 0.353 -0.818 0.00 0.00 +0.160 C BRANCH 25 26 ATOM 26 N LIG 1 -1.546 1.789 -0.842 0.00 0.00 -0.324 N ATOM 27 C LIG 1 -1.483 2.671 0.216 0.00 0.00 +0.092 A ATOM 28 C LIG 1 -1.217 3.904 -0.392 0.00 0.00 +0.130 A ATOM 29 C LIG 1 -1.075 5.071 0.397 0.00 0.00 +0.144 A ATOM 30 N LIG 1 -1.169 4.975 1.743 0.00 0.00 -0.237 NA ATOM 31 C LIG 1 -1.434 3.768 2.299 0.00 0.00 +0.135 A ATOM 32 N LIG 1 -1.117 3.765 -1.763 0.00 0.00 -0.232 NA ATOM 33 C LIG 1 -1.607 2.575 1.603 0.00 0.00 +0.085 A ATOM 34 CL LIG 1 -1.937 1.127 2.452 0.00 0.00 -0.080 Cl ATOM 35 C LIG 1 -1.337 2.496 -1.999 0.00 0.00 +0.200 A BRANCH 29 36 ATOM 36 N LIG 1 -0.818 6.320 -0.147 0.00 0.00 -0.341 N ATOM 37 H LIG 1 -0.433 6.281 -1.084 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -0.394 6.949 0.520 0.00 0.00 +0.144 HD ENDBRANCH 29 36 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7