REMARK Name = BDB019676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.261 2.069 -0.381 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.024 1.837 0.232 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.326 0.552 0.665 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.579 -0.504 0.503 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.822 -0.290 -0.116 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.150 1.000 -0.560 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -1.482 5.357 -1.808 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -2.691 5.383 -1.223 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -2.787 4.194 -0.591 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -1.620 3.403 -0.823 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -0.804 4.192 -1.605 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -3.988 3.810 0.231 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -4.767 2.897 -0.416 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -3.636 3.233 1.414 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -4.797 4.857 0.543 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -0.409 7.571 -1.690 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -1.026 6.502 -2.574 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.651 0.366 1.319 0.00 0.00 +0.245 C ATOM 19 N LIG 1 2.196 -0.897 1.241 0.00 0.00 -0.304 N ATOM 20 H LIG 1 1.826 -1.540 0.560 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 2.204 1.317 1.861 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.547 -1.158 1.697 0.00 0.00 +0.107 C BRANCH 22 23 ATOM 23 C LIG 1 4.517 -0.996 0.534 0.00 0.00 -0.027 A ATOM 24 C LIG 1 5.209 0.222 0.383 0.00 0.00 +0.011 A ATOM 25 C LIG 1 6.093 0.427 -0.685 0.00 0.00 -0.015 A ATOM 26 C LIG 1 6.806 1.734 -0.856 0.00 0.00 +0.047 C ATOM 27 C LIG 1 6.255 -0.592 -1.624 0.00 0.00 +0.126 A ATOM 28 F LIG 1 7.075 -0.414 -2.670 0.00 0.00 -0.205 F ATOM 29 C LIG 1 5.571 -1.797 -1.506 0.00 0.00 +0.039 A ATOM 30 C LIG 1 4.701 -1.998 -0.433 0.00 0.00 +0.008 A ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 3.679 -2.522 2.341 0.00 0.00 +0.014 C ATOM 32 C LIG 1 2.654 -3.002 3.345 0.00 0.00 +0.006 C ATOM 33 C LIG 1 2.797 -3.714 2.029 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 34 ATOM 34 C LIG 1 -2.795 -1.434 -0.283 0.00 0.00 +0.138 C BRANCH 34 35 ATOM 35 N LIG 1 -3.233 -1.886 1.020 0.00 0.00 -0.329 N ATOM 36 H LIG 1 -3.358 -1.134 1.688 0.00 0.00 +0.147 HD BRANCH 35 37 ATOM 37 C LIG 1 -3.971 -3.007 1.258 0.00 0.00 +0.090 C ATOM 38 N LIG 1 -4.564 -3.210 2.384 0.00 0.00 -0.289 NA ATOM 39 H LIG 1 -4.383 -2.433 3.022 0.00 0.00 +0.188 HD BRANCH 37 40 ATOM 40 C LIG 1 -4.062 -4.074 0.124 0.00 0.00 +0.052 C ATOM 41 C LIG 1 -4.914 -5.354 0.371 0.00 0.00 +0.011 C ATOM 42 C LIG 1 -5.308 -5.301 -1.116 0.00 0.00 +0.001 C ATOM 43 C LIG 1 -5.028 -3.788 -1.061 0.00 0.00 +0.011 C ENDBRANCH 37 40 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 11