REMARK Name = BDB042642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.708 1.963 -0.538 0.00 0.00 +0.216 C ATOM 2 N LIG 1 1.629 1.457 -1.430 0.00 0.00 -0.292 N ATOM 3 C LIG 1 1.750 0.070 -1.870 0.00 0.00 +0.094 C ATOM 4 C LIG 1 2.479 -0.742 -0.760 0.00 0.00 +0.129 C ATOM 5 N LIG 1 3.799 -0.139 -0.423 0.00 0.00 -0.312 N ATOM 6 C LIG 1 3.822 1.349 -0.341 0.00 0.00 +0.129 C ATOM 7 C LIG 1 2.637 0.210 -3.115 0.00 0.00 +0.026 C ATOM 8 C LIG 1 3.462 1.486 -2.859 0.00 0.00 +0.026 C ATOM 9 C LIG 1 2.983 1.986 -1.489 0.00 0.00 +0.094 C ATOM 10 O LIG 1 0.929 2.984 0.111 0.00 0.00 -0.276 OA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 4.478 -0.826 0.594 0.00 0.00 +0.121 A ATOM 12 N LIG 1 3.910 -1.937 1.125 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 4.578 -2.610 2.094 0.00 0.00 +0.151 A ATOM 14 C LIG 1 5.817 -2.237 2.567 0.00 0.00 +0.142 A ATOM 15 F LIG 1 6.430 -2.943 3.525 0.00 0.00 -0.204 F ATOM 16 C LIG 1 6.419 -1.121 2.022 0.00 0.00 +0.043 A ATOM 17 C LIG 1 5.745 -0.414 1.023 0.00 0.00 +0.046 A ENDBRANCH 5 11 BRANCH 1 18 ATOM 18 C LIG 1 -0.600 1.200 -0.432 0.00 0.00 +0.102 C BRANCH 18 19 ATOM 19 C LIG 1 -1.596 1.921 0.480 0.00 0.00 +0.062 C BRANCH 19 27 ATOM 20 C LIG 1 -4.257 -2.477 -1.126 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -5.132 -1.651 -0.221 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.693 -0.435 0.352 0.00 0.00 -0.005 A ATOM 23 C LIG 1 -5.567 0.287 1.191 0.00 0.00 +0.082 A ATOM 24 C LIG 1 -5.103 1.560 1.791 0.00 0.00 +0.259 A ATOM 25 N LIG 1 -3.821 1.952 1.476 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -3.532 2.826 1.901 0.00 0.00 +0.169 HD ATOM 27 C LIG 1 -2.951 1.265 0.660 0.00 0.00 +0.020 A ATOM 28 O LIG 1 -5.798 2.247 2.529 0.00 0.00 -0.267 OA ATOM 29 C LIG 1 -6.849 -0.193 1.451 0.00 0.00 +0.136 A ATOM 30 F LIG 1 -7.704 0.469 2.243 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -7.283 -1.388 0.888 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -3.346 0.108 0.103 0.00 0.00 +0.030 A ATOM 33 C LIG 1 -6.431 -2.113 0.057 0.00 0.00 +0.007 A ENDBRANCH 19 27 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 4