REMARK Name = BDB018937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.217 0.498 -0.043 0.00 0.00 -0.006 A ATOM 2 C LIG 1 3.173 0.295 -0.957 0.00 0.00 +0.027 A ATOM 3 C LIG 1 1.871 0.070 -0.464 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.572 0.041 0.910 0.00 0.00 +0.038 A ATOM 5 N LIG 1 0.254 -0.185 1.371 0.00 0.00 -0.300 N ATOM 6 C LIG 1 -0.024 0.169 2.772 0.00 0.00 +0.111 C ATOM 7 C LIG 1 1.083 -0.353 3.676 0.00 0.00 +0.024 C ATOM 8 C LIG 1 2.400 0.302 3.297 0.00 0.00 +0.038 C ATOM 9 C LIG 1 2.632 0.264 1.809 0.00 0.00 -0.025 A ATOM 10 C LIG 1 3.934 0.494 1.330 0.00 0.00 +0.014 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -0.845 -0.702 0.643 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -0.698 -1.859 -0.131 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -1.800 -2.328 -0.814 0.00 0.00 +0.073 A ATOM 14 N LIG 1 -1.919 -3.464 -1.625 0.00 0.00 -0.295 N ATOM 15 C LIG 1 -3.249 -3.574 -2.068 0.00 0.00 +0.330 A ATOM 16 N LIG 1 -3.938 -2.468 -1.529 0.00 0.00 -0.293 N ATOM 17 C LIG 1 -5.347 -2.248 -1.667 0.00 0.00 +0.154 C ATOM 18 O LIG 1 -3.715 -4.458 -2.770 0.00 0.00 -0.246 OA ATOM 19 C LIG 1 -0.863 -4.390 -1.915 0.00 0.00 +0.154 C ATOM 20 C LIG 1 -3.046 -1.690 -0.760 0.00 0.00 +0.091 A ATOM 21 C LIG 1 -3.243 -0.525 -0.020 0.00 0.00 +0.057 A ATOM 22 C LIG 1 -2.113 -0.060 0.683 0.00 0.00 +0.048 A BRANCH 21 23 ATOM 23 N LIG 1 -4.458 0.157 -0.014 0.00 0.00 -0.328 N ATOM 24 C LIG 1 -5.051 0.571 1.262 0.00 0.00 +0.105 C ATOM 25 C LIG 1 -4.778 2.035 1.604 0.00 0.00 +0.019 C ATOM 26 C LIG 1 -5.047 2.964 0.424 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -4.300 2.490 -0.818 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -4.676 1.050 -1.159 0.00 0.00 +0.105 C ENDBRANCH 21 23 ENDBRANCH 5 11 BRANCH 1 33 ATOM 29 C LIG 1 8.643 2.603 -0.748 0.00 0.00 +0.172 C ATOM 30 N LIG 1 7.531 1.683 -0.764 0.00 0.00 -0.274 N ATOM 31 N LIG 1 7.655 0.507 -1.403 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 6.471 -0.083 -1.214 0.00 0.00 +0.142 A ATOM 33 C LIG 1 5.583 0.723 -0.469 0.00 0.00 +0.020 A ATOM 34 C LIG 1 6.306 1.863 -0.189 0.00 0.00 +0.116 A ENDBRANCH 1 33 BRANCH 2 35 ATOM 35 C LIG 1 3.401 0.304 -2.448 0.00 0.00 +0.372 C ATOM 36 F LIG 1 3.995 -0.841 -2.886 0.00 0.00 -0.204 F ATOM 37 F LIG 1 2.245 0.409 -3.169 0.00 0.00 -0.204 F ENDBRANCH 2 35 TORSDOF 4