REMARK Name = BDB064356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.934 0.190 2.144 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -1.254 -0.968 2.468 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -1.686 -1.988 2.969 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.142 -0.757 2.071 0.00 0.00 +0.042 A ATOM 5 C LIG 1 1.216 -1.618 2.203 0.00 0.00 +0.018 A ATOM 6 C LIG 1 2.460 -1.188 1.722 0.00 0.00 -0.026 A ATOM 7 C LIG 1 2.569 0.097 1.129 0.00 0.00 +0.014 A ATOM 8 C LIG 1 1.463 0.959 0.997 0.00 0.00 -0.012 A ATOM 9 C LIG 1 0.245 0.504 1.486 0.00 0.00 -0.010 A ATOM 10 C LIG 1 -1.095 1.164 1.465 0.00 0.00 +0.145 C ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 1.599 2.271 0.356 0.00 0.00 -0.014 A ATOM 12 C LIG 1 1.535 2.429 -1.048 0.00 0.00 -0.040 A ATOM 13 C LIG 1 1.343 1.251 -1.968 0.00 0.00 +0.044 C ATOM 14 C LIG 1 1.668 3.713 -1.603 0.00 0.00 +0.042 A ATOM 15 C LIG 1 1.855 4.817 -0.780 0.00 0.00 +0.124 A ATOM 16 F LIG 1 1.976 6.034 -1.326 0.00 0.00 -0.205 F ATOM 17 C LIG 1 1.919 4.677 0.598 0.00 0.00 +0.039 A ATOM 18 C LIG 1 1.793 3.409 1.164 0.00 0.00 +0.011 A ENDBRANCH 8 11 BRANCH 1 19 ATOM 19 C LIG 1 -3.368 0.347 2.259 0.00 0.00 +0.143 C BRANCH 19 24 ATOM 20 C LIG 1 -4.801 -1.425 -0.791 0.00 0.00 +0.124 A ATOM 21 C LIG 1 -5.308 -0.343 -1.513 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -5.204 0.964 -1.027 0.00 0.00 +0.124 A ATOM 23 C LIG 1 -4.582 1.188 0.201 0.00 0.00 +0.051 A ATOM 24 C LIG 1 -4.068 0.112 0.943 0.00 0.00 -0.023 A ATOM 25 C LIG 1 -4.183 -1.194 0.436 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 -4.463 -3.776 -0.692 0.00 0.00 +0.277 C ATOM 27 O LIG 1 -4.969 -2.644 -1.389 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 -5.742 1.921 -1.843 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 -5.681 3.267 -1.390 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 C LIG 1 3.670 -2.094 1.814 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 4.113 -2.515 0.501 0.00 0.00 -0.313 N ATOM 32 C LIG 1 5.169 -1.952 -0.227 0.00 0.00 +0.204 A ATOM 33 N LIG 1 5.992 -1.020 0.097 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 5.801 -0.698 1.044 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 5.144 -2.632 -1.447 0.00 0.00 -0.320 N ATOM 36 C LIG 1 5.998 -2.292 -2.557 0.00 0.00 +0.152 C ATOM 37 C LIG 1 4.090 -3.530 -1.469 0.00 0.00 +0.106 A ATOM 38 C LIG 1 3.467 -3.466 -0.285 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 7