REMARK Name = BDB034587 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.609 -0.189 -0.697 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.233 -0.597 -1.087 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.497 0.418 0.548 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -1.418 0.792 1.265 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -4.198 -0.179 -1.818 0.00 0.00 -0.006 A ATOM 6 C LIG 1 -3.038 0.104 -1.069 0.00 0.00 +0.030 A ATOM 7 C LIG 1 -1.795 -0.424 -1.423 0.00 0.00 +0.034 A ATOM 8 C LIG 1 -1.704 -1.227 -2.564 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -2.842 -1.525 -3.314 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -4.084 -1.013 -2.939 0.00 0.00 +0.007 A BRANCH 5 11 ATOM 11 C LIG 1 -5.540 0.389 -1.347 0.00 0.00 +0.172 C ATOM 12 F LIG 1 -5.324 1.468 -0.516 0.00 0.00 -0.234 F ATOM 13 C LIG 1 -6.378 0.927 -2.512 0.00 0.00 +0.056 C BRANCH 11 14 ATOM 14 C LIG 1 -6.282 -0.692 -0.526 0.00 0.00 +0.274 C ATOM 15 F LIG 1 -6.654 -1.717 -1.353 0.00 0.00 -0.233 F BRANCH 14 18 ATOM 16 C LIG 1 -6.317 0.499 2.350 0.00 0.00 +0.151 C ATOM 17 N LIG 1 -7.445 0.380 1.465 0.00 0.00 -0.318 N ATOM 18 C LIG 1 -7.471 -0.147 0.197 0.00 0.00 +0.171 A ATOM 19 N LIG 1 -8.707 -0.071 -0.259 0.00 0.00 -0.132 NA ATOM 20 N LIG 1 -9.488 0.513 0.709 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 -8.717 0.778 1.736 0.00 0.00 +0.224 A ENDBRANCH 14 18 ENDBRANCH 11 14 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 0.911 0.581 1.024 0.00 0.00 +0.129 A ATOM 23 N LIG 1 1.161 0.173 2.285 0.00 0.00 -0.227 NA ATOM 24 C LIG 1 2.424 0.295 2.721 0.00 0.00 +0.133 A ATOM 25 N LIG 1 3.419 0.796 1.959 0.00 0.00 -0.235 NA ATOM 26 C LIG 1 3.130 1.200 0.703 0.00 0.00 +0.059 A ATOM 27 C LIG 1 1.859 1.114 0.182 0.00 0.00 +0.057 A BRANCH 24 28 ATOM 28 C LIG 1 2.747 -0.146 4.127 0.00 0.00 +0.057 C ATOM 29 C LIG 1 3.871 -1.126 4.379 0.00 0.00 +0.012 C ATOM 30 C LIG 1 2.449 -1.562 4.566 0.00 0.00 +0.012 C ENDBRANCH 24 28 BRANCH 26 31 ATOM 31 C LIG 1 4.268 1.744 -0.143 0.00 0.00 +0.140 C BRANCH 31 32 ATOM 32 N LIG 1 4.483 0.961 -1.381 0.00 0.00 -0.296 NA ATOM 33 C LIG 1 5.137 -0.335 -1.082 0.00 0.00 +0.091 C ATOM 34 C LIG 1 6.615 -0.031 -1.121 0.00 0.00 -0.015 C ATOM 35 C LIG 1 7.619 -1.145 -1.317 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.514 -0.466 0.017 0.00 0.00 +0.009 C ATOM 37 C LIG 1 6.824 1.309 -1.761 0.00 0.00 +0.023 C ATOM 38 C LIG 1 5.431 1.651 -2.280 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 3 22 TORSDOF 8