REMARK Name = BDB035696 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.394 -0.539 -1.890 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.325 -0.036 -0.799 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.015 0.172 0.352 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.695 0.206 -1.267 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.771 0.717 -0.565 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.991 0.859 -1.242 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.088 0.464 -2.598 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.982 -0.060 -3.297 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.783 -0.177 -2.600 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.459 -0.699 -3.059 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.983 -0.921 -0.778 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.619 -0.557 -0.834 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.771 -0.887 -1.902 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.329 -1.575 -2.985 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.671 -1.952 -2.975 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.478 -1.637 -1.883 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.146 0.990 1.398 0.00 0.00 +0.057 C ATOM 18 C LIG 1 6.288 0.132 0.119 0.00 0.00 +0.030 C ATOM 19 C LIG 1 4.918 -0.557 0.470 0.00 0.00 +0.057 C ATOM 20 C LIG 1 4.619 0.741 1.297 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 5.093 -1.832 1.406 0.00 0.00 +0.144 A ATOM 22 N LIG 1 4.122 -2.524 2.079 0.00 0.00 -0.320 N ATOM 23 C LIG 1 2.705 -2.283 2.106 0.00 0.00 +0.151 C ATOM 24 C LIG 1 4.767 -3.519 2.748 0.00 0.00 +0.224 A ATOM 25 N LIG 1 6.056 -3.446 2.511 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 6.262 -2.384 1.664 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 7.713 2.859 2.310 0.00 0.00 +0.086 C ATOM 28 C LIG 1 6.642 2.459 1.326 0.00 0.00 +0.133 C ATOM 29 O LIG 1 6.203 3.291 0.523 0.00 0.00 -0.297 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.084 -0.480 -4.739 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -4.330 -0.341 -5.266 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.250 0.234 -5.543 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.742 -1.786 -4.918 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.201 1.396 -0.508 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.798 0.342 0.310 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -6.105 -0.418 -0.295 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.846 0.850 1.206 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.149 -0.286 2.228 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.079 0.783 3.339 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -6.197 1.621 2.390 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -8.057 1.444 0.511 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8