REMARK Name = BDB038377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.106 2.707 0.596 0.00 0.00 +0.061 A ATOM 2 C LIG 1 0.924 1.774 0.391 0.00 0.00 +0.038 A ATOM 3 C LIG 1 0.669 0.526 -0.194 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.643 0.258 -0.603 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -1.698 1.165 -0.390 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -1.414 2.396 0.212 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.708 -0.431 -0.359 0.00 0.00 -0.263 N ATOM 8 C LIG 1 1.557 -1.758 -0.778 0.00 0.00 +0.251 C ATOM 9 O LIG 1 0.563 -2.398 -1.073 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.899 -2.354 -0.798 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.271 -3.634 -1.165 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.626 -3.955 -1.095 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.567 -3.000 -0.664 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.173 -1.701 -0.292 0.00 0.00 +0.060 A ATOM 15 C LIG 1 3.815 -1.399 -0.370 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.098 -0.129 -0.040 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 6.170 -0.672 0.170 0.00 0.00 +0.418 C ATOM 18 F LIG 1 6.182 0.427 -0.633 0.00 0.00 -0.166 F ATOM 19 F LIG 1 5.895 -0.216 1.422 0.00 0.00 -0.166 F ATOM 20 F LIG 1 7.452 -1.127 0.206 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 -3.074 0.813 -0.780 0.00 0.00 -0.007 A ATOM 22 C LIG 1 -3.832 -0.156 -0.083 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.141 -0.453 -0.498 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -5.699 0.192 -1.601 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -4.958 1.143 -2.297 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -3.659 1.452 -1.889 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 C LIG 1 -3.297 -0.849 1.086 0.00 0.00 +0.164 A ATOM 28 N LIG 1 -2.759 -2.112 1.088 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -2.622 -3.018 -0.020 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -2.359 -2.355 2.366 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -2.646 -1.322 3.121 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 -3.234 -0.372 2.316 0.00 0.00 -0.129 NA ENDBRANCH 22 27 ENDBRANCH 5 21 BRANCH 1 33 ATOM 33 C LIG 1 0.248 4.004 1.235 0.00 0.00 +0.339 C ATOM 34 O LIG 1 1.386 4.295 1.569 0.00 0.00 -0.245 OA BRANCH 33 36 ATOM 35 C LIG 1 -0.584 6.048 1.998 0.00 0.00 +0.280 C ATOM 36 O LIG 1 -0.846 4.791 1.373 0.00 0.00 -0.464 OA ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 6