REMARK Name = BDB058253 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.617 -0.337 0.436 0.00 0.00 +0.074 A ATOM 2 N LIG 1 5.013 -0.264 1.651 0.00 0.00 -0.251 NA ATOM 3 C LIG 1 3.672 -0.225 1.641 0.00 0.00 +0.048 A ATOM 4 C LIG 1 2.830 -0.192 2.886 0.00 0.00 +0.059 C ATOM 5 C LIG 1 1.467 0.236 2.324 0.00 0.00 +0.046 C ATOM 6 C LIG 1 1.437 -0.247 0.863 0.00 0.00 +0.140 C ATOM 7 C LIG 1 0.539 0.631 -0.012 0.00 0.00 +0.252 C ATOM 8 O LIG 1 0.692 1.821 -0.251 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 -0.480 -0.154 -0.480 0.00 0.00 -0.215 N ATOM 10 C LIG 1 -0.347 -1.435 -0.045 0.00 0.00 +0.310 C ATOM 11 O LIG 1 -1.095 -2.370 -0.276 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 0.804 -1.528 0.702 0.00 0.00 -0.281 N ATOM 13 H LIG 1 1.086 -2.397 1.137 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 2.884 -0.272 0.498 0.00 0.00 +0.006 A ATOM 15 C LIG 1 3.501 -0.361 -0.734 0.00 0.00 +0.010 A ATOM 16 C LIG 1 4.897 -0.388 -0.765 0.00 0.00 +0.029 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 10.439 -0.477 -0.809 0.00 0.00 +0.172 C ATOM 18 N LIG 1 9.196 -0.429 -0.078 0.00 0.00 -0.274 N ATOM 19 N LIG 1 9.223 -0.383 1.264 0.00 0.00 -0.179 NA ATOM 20 C LIG 1 7.930 -0.342 1.599 0.00 0.00 +0.144 A ATOM 21 C LIG 1 7.069 -0.366 0.477 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.933 -0.422 -0.600 0.00 0.00 +0.118 A ENDBRANCH 1 21 BRANCH 9 23 ATOM 23 C LIG 1 -1.625 0.338 -1.209 0.00 0.00 +0.213 C BRANCH 23 24 ATOM 24 C LIG 1 -2.696 0.807 -0.214 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.905 1.271 -0.733 0.00 0.00 -0.281 N ATOM 26 C LIG 1 -4.326 1.154 -2.164 0.00 0.00 +0.218 C ATOM 27 C LIG 1 -5.346 0.024 -2.355 0.00 0.00 +0.260 C ATOM 28 O LIG 1 -6.616 0.316 -1.758 0.00 0.00 -0.489 OA ATOM 29 C LIG 1 -6.661 -0.102 -0.455 0.00 0.00 +0.125 A ATOM 30 C LIG 1 -5.860 0.482 0.537 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -5.955 -0.014 1.846 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -6.850 -1.038 2.143 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -7.667 -1.585 1.161 0.00 0.00 +0.042 A ATOM 34 F LIG 1 -6.933 -1.496 3.399 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -7.577 -1.110 -0.146 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -4.944 1.637 0.232 0.00 0.00 +0.147 C ATOM 37 O LIG 1 -2.480 0.791 1.002 0.00 0.00 -0.274 OA BRANCH 26 38 ATOM 38 C LIG 1 -4.823 2.457 -2.816 0.00 0.00 +0.411 C ATOM 39 F LIG 1 -3.889 3.430 -2.682 0.00 0.00 -0.168 F ATOM 40 F LIG 1 -5.010 2.275 -4.145 0.00 0.00 -0.168 F ATOM 41 F LIG 1 -5.975 2.925 -2.301 0.00 0.00 -0.168 F ENDBRANCH 26 38 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4