REMARK Name = BDB025933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.694 1.215 -0.089 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.289 -0.140 -0.139 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.069 -0.477 -0.132 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.067 0.516 -0.086 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.640 1.852 -0.043 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.541 2.846 -0.007 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.710 2.204 -0.043 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.327 3.565 2.929 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.435 3.329 1.698 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.634 4.278 0.574 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.192 5.576 0.915 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.328 3.650 -0.557 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.534 2.447 -1.116 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.083 1.502 -0.064 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.569 1.822 1.299 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.493 0.158 -0.086 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.032 -0.838 -0.875 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.337 -1.192 -0.890 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.177 -0.528 -0.081 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.757 0.460 0.725 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.442 0.778 0.702 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.521 -0.853 -0.097 0.00 0.00 -0.292 N ATOM 23 C LIG 1 6.903 -2.184 -0.594 0.00 0.00 +0.099 C ATOM 24 C LIG 1 7.444 -2.053 -2.019 0.00 0.00 +0.030 C ATOM 25 C LIG 1 7.949 -2.821 0.351 0.00 0.00 +0.182 C ATOM 26 O LIG 1 9.114 -2.018 0.579 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 8.829 -0.615 0.700 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.354 -0.275 0.958 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -2.338 -1.081 -0.216 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.248 -0.622 -0.249 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.252 -2.448 -0.271 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.241 -3.134 -0.205 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.588 -3.105 -0.367 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.488 -2.970 -1.509 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.667 -3.625 -1.497 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -6.052 -4.473 -0.342 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -7.128 -5.055 -0.315 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.130 -4.553 0.671 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -5.382 -5.150 1.451 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.924 -3.897 0.664 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -4.062 -2.138 -2.678 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -4.076 -0.816 -2.371 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.890 -2.286 -3.745 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.816 -2.442 -3.111 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6