REMARK Name = BDB020658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.603 1.744 -0.610 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.105 0.366 -0.751 0.00 0.00 -0.017 A ATOM 3 C LIG 1 1.137 -0.679 -1.095 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.232 0.135 -0.603 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -2.082 1.264 -0.431 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.618 2.578 -0.375 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -2.691 3.433 -0.227 0.00 0.00 +0.039 A ATOM 8 C LIG 1 -3.854 2.640 -0.194 0.00 0.00 +0.036 A ATOM 9 C LIG 1 -3.456 1.326 -0.321 0.00 0.00 +0.103 A ATOM 10 C LIG 1 -0.218 2.796 -0.449 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -5.359 3.043 -0.049 0.00 0.00 +0.142 A ATOM 12 N LIG 1 -5.891 4.305 0.076 0.00 0.00 -0.333 N ATOM 13 C LIG 1 -5.179 5.556 0.098 0.00 0.00 +0.150 C ATOM 14 C LIG 1 -7.251 4.181 0.175 0.00 0.00 +0.107 A ATOM 15 C LIG 1 -7.494 2.833 0.104 0.00 0.00 +0.131 A ATOM 16 N LIG 1 -6.322 2.139 -0.033 0.00 0.00 -0.236 NA ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 2.607 1.642 0.664 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.030 1.119 1.315 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 2.058 2.056 -0.523 0.00 0.00 +0.245 C ATOM 20 O LIG 1 2.663 2.619 -1.425 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.034 1.579 0.881 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 5.611 -3.966 0.097 0.00 0.00 +0.063 C ATOM 23 C LIG 1 5.260 -2.516 0.214 0.00 0.00 +0.016 A ATOM 24 N LIG 1 4.513 -2.139 1.301 0.00 0.00 -0.326 N ATOM 25 H LIG 1 4.209 -2.834 1.972 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 4.092 -0.858 1.546 0.00 0.00 +0.254 A ATOM 27 O LIG 1 3.386 -0.592 2.516 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 4.507 0.191 0.554 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.244 -0.188 -0.514 0.00 0.00 -0.039 A ATOM 30 C LIG 1 5.715 0.718 -1.618 0.00 0.00 +0.044 C ATOM 31 C LIG 1 5.626 -1.585 -0.679 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 -1.886 -1.258 -0.593 0.00 0.00 +0.101 C ATOM 33 C LIG 1 -2.221 -1.627 -2.051 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 -1.082 -2.291 0.103 0.00 0.00 -0.290 NA ATOM 35 C LIG 1 -0.867 -2.010 1.532 0.00 0.00 +0.113 C ATOM 36 C LIG 1 0.160 -3.000 2.122 0.00 0.00 +0.175 C ATOM 37 O LIG 1 0.017 -4.358 1.676 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -1.276 -4.607 1.129 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -1.592 -3.668 -0.055 0.00 0.00 +0.113 C ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 6