REMARK Name = BDB014187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.101 0.619 -0.498 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.841 1.738 -1.284 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.232 1.784 -2.087 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.689 2.839 -1.238 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.818 2.814 -0.417 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.120 1.677 0.352 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.243 0.582 0.313 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.765 -1.627 -0.900 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.235 -0.569 -0.566 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.117 -0.451 -0.251 0.00 0.00 -0.294 N ATOM 11 C LIG 1 1.661 0.610 0.611 0.00 0.00 +0.127 C ATOM 12 C LIG 1 3.155 0.870 0.349 0.00 0.00 +0.125 C ATOM 13 N LIG 1 3.920 -0.393 0.441 0.00 0.00 -0.312 N ATOM 14 C LIG 1 3.417 -1.416 -0.505 0.00 0.00 +0.125 C ATOM 15 C LIG 1 1.918 -1.680 -0.271 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 5.316 -0.196 0.330 0.00 0.00 +0.123 A ATOM 17 N LIG 1 5.789 1.030 -0.011 0.00 0.00 -0.238 NA ATOM 18 C LIG 1 7.119 1.265 -0.119 0.00 0.00 +0.140 A ATOM 19 C LIG 1 7.992 0.228 0.137 0.00 0.00 +0.084 A ATOM 20 C LIG 1 7.546 -1.031 0.503 0.00 0.00 +0.094 A ATOM 21 N LIG 1 8.607 -1.881 0.709 0.00 0.00 -0.236 NA ATOM 22 C LIG 1 9.679 -1.160 0.473 0.00 0.00 +0.197 A ATOM 23 N LIG 1 9.357 0.122 0.123 0.00 0.00 -0.343 N ATOM 24 H LIG 1 10.013 0.856 -0.101 0.00 0.00 +0.167 HD ATOM 25 C LIG 1 6.174 -1.260 0.613 0.00 0.00 +0.073 A ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 -4.343 1.678 1.245 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -5.089 0.351 1.289 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -5.928 -0.071 0.138 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -6.580 -1.298 0.244 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -7.388 -1.770 -0.798 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -7.543 -1.007 -1.954 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.894 0.222 -2.067 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.413 -2.098 1.468 0.00 0.00 +0.272 A ATOM 34 O LIG 1 -6.978 -3.176 1.610 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -5.599 -1.560 2.434 0.00 0.00 -0.242 N ATOM 36 H LIG 1 -5.468 -2.101 3.284 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 -6.088 0.692 -1.025 0.00 0.00 +0.010 A ATOM 38 N LIG 1 -4.949 -0.368 2.364 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4