REMARK Name = BDB016744 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.931 0.292 0.947 0.00 0.00 +0.093 A ATOM 2 C LIG 1 -0.332 -0.365 1.075 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.277 0.643 0.935 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -2.656 0.416 0.998 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -3.117 -0.901 1.192 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -2.166 -1.922 1.354 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -0.554 1.786 0.739 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -0.911 2.724 0.597 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -0.785 -1.678 1.296 0.00 0.00 +0.012 A ATOM 10 N LIG 1 0.775 1.608 0.737 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -4.599 -1.189 1.262 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -5.526 -0.955 0.084 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -5.121 -0.427 -1.263 0.00 0.00 -0.010 A ATOM 14 C LIG 1 -6.147 0.416 -1.728 0.00 0.00 +0.041 A ATOM 15 C LIG 1 -6.070 1.085 -2.937 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -4.929 0.888 -3.717 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -3.903 0.035 -3.281 0.00 0.00 +0.000 A ATOM 18 N LIG 1 -7.192 0.430 -0.781 0.00 0.00 -0.262 N ATOM 19 C LIG 1 -3.997 -0.628 -2.054 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -6.882 -0.341 0.329 0.00 0.00 +0.231 C ATOM 21 O LIG 1 -7.537 -0.473 1.352 0.00 0.00 -0.274 OA ATOM 22 C LIG 1 -5.206 -2.358 0.512 0.00 0.00 +0.031 C BRANCH 18 23 ATOM 23 C LIG 1 -8.410 1.200 -0.904 0.00 0.00 +0.209 C BRANCH 23 24 ATOM 24 C LIG 1 -8.286 2.580 -0.261 0.00 0.00 +0.228 C ATOM 25 O LIG 1 -8.757 3.596 -0.763 0.00 0.00 -0.274 OA ATOM 26 N LIG 1 -7.732 2.620 0.990 0.00 0.00 -0.328 N ATOM 27 H LIG 1 -7.694 1.773 1.551 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 -7.802 3.500 1.484 0.00 0.00 +0.145 HD ENDBRANCH 23 24 ENDBRANCH 18 23 ENDBRANCH 5 11 BRANCH 1 30 ATOM 29 C LIG 1 3.393 0.251 0.903 0.00 0.00 +0.010 C ATOM 30 C LIG 1 2.204 -0.364 1.030 0.00 0.00 +0.031 C BRANCH 29 33 ATOM 31 C LIG 1 6.973 -0.661 0.144 0.00 0.00 -0.033 A ATOM 32 C LIG 1 5.708 -0.054 0.096 0.00 0.00 +0.012 A ATOM 33 C LIG 1 4.688 -0.437 0.977 0.00 0.00 -0.025 A ATOM 34 C LIG 1 4.953 -1.424 1.934 0.00 0.00 +0.008 A ATOM 35 C LIG 1 6.205 -2.038 1.990 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.208 -1.662 1.097 0.00 0.00 +0.005 A BRANCH 31 37 ATOM 37 C LIG 1 8.060 -0.257 -0.831 0.00 0.00 +0.119 C BRANCH 37 39 ATOM 38 C LIG 1 9.107 1.468 0.518 0.00 0.00 +0.104 C ATOM 39 N LIG 1 9.302 0.193 -0.176 0.00 0.00 -0.304 NA ATOM 40 C LIG 1 10.370 0.325 -1.168 0.00 0.00 +0.104 C ENDBRANCH 37 39 ENDBRANCH 31 37 ENDBRANCH 29 33 ENDBRANCH 1 30 TORSDOF 7