REMARK Name = BDB035608 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.574 -1.231 0.576 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.198 -0.087 0.348 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.073 0.975 -0.179 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.537 -0.359 0.884 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.647 0.467 0.893 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.826 -0.026 1.467 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.847 -1.337 2.002 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.707 -2.164 1.986 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.551 -1.643 1.413 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.204 -2.268 1.241 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.046 -0.592 -0.766 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.690 -0.413 -0.406 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.939 -1.418 0.222 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.585 -2.632 0.496 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.923 -2.833 0.151 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.648 -1.822 -0.475 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.772 0.575 -1.439 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -5.936 0.598 1.548 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.540 1.725 0.749 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.036 1.747 -0.529 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.841 3.010 -0.869 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -5.206 3.810 0.184 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.616 3.025 1.150 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.068 0.165 -2.153 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -5.935 -0.759 -3.403 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -7.100 0.034 -4.026 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -6.675 1.216 -3.134 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.736 -3.561 2.545 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.570 -4.504 1.578 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.733 -3.776 3.442 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.890 -3.877 3.190 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.080 0.822 1.491 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 6.054 0.309 0.526 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.582 0.201 -0.373 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.268 1.141 0.465 0.00 0.00 +0.017 C ATOM 36 C LIG 1 6.980 2.454 -0.317 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.252 2.168 -1.143 0.00 0.00 +0.004 C ATOM 38 C LIG 1 8.079 0.677 -0.784 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.065 1.209 1.755 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8