REMARK Name = BDB035301 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.315 -0.476 1.105 0.00 0.00 +0.142 A ATOM 2 N LIG 1 -0.311 -1.575 1.602 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -1.663 -1.627 1.692 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -2.443 -0.557 1.275 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -1.834 0.574 0.737 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -0.436 0.606 0.659 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 6.145 0.514 0.600 0.00 0.00 +0.047 A ATOM 8 N LIG 1 4.955 1.221 0.579 0.00 0.00 -0.350 N ATOM 9 H LIG 1 4.875 2.222 0.442 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 3.914 0.361 0.793 0.00 0.00 +0.131 A ATOM 11 C LIG 1 4.440 -0.883 0.957 0.00 0.00 +0.096 A ATOM 12 N LIG 1 3.662 -2.002 1.210 0.00 0.00 -0.235 NA ATOM 13 C LIG 1 2.385 -1.739 1.234 0.00 0.00 +0.209 A ATOM 14 N LIG 1 1.747 -0.508 1.045 0.00 0.00 -0.250 N ATOM 15 C LIG 1 2.515 0.647 0.864 0.00 0.00 +0.284 A ATOM 16 O LIG 1 2.112 1.805 0.816 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 5.835 -0.817 0.839 0.00 0.00 +0.053 A BRANCH 7 19 ATOM 18 C LIG 1 7.682 1.570 -1.064 0.00 0.00 +0.044 C ATOM 19 C LIG 1 7.457 1.183 0.388 0.00 0.00 +0.158 C BRANCH 19 20 ATOM 20 O LIG 1 7.440 2.361 1.185 0.00 0.00 -0.386 OA ATOM 21 H LIG 1 7.384 2.059 2.109 0.00 0.00 +0.210 HD ENDBRANCH 19 20 ENDBRANCH 7 19 ENDBRANCH 1 14 BRANCH 5 22 ATOM 22 C LIG 1 -2.642 1.699 0.251 0.00 0.00 -0.005 A ATOM 23 C LIG 1 -2.987 1.856 -1.108 0.00 0.00 +0.047 A ATOM 24 C LIG 1 -3.784 2.923 -1.538 0.00 0.00 +0.052 A ATOM 25 C LIG 1 -4.242 3.841 -0.606 0.00 0.00 +0.124 A ATOM 26 F LIG 1 -5.008 4.863 -1.008 0.00 0.00 -0.205 F ATOM 27 C LIG 1 -3.921 3.717 0.741 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -3.124 2.651 1.167 0.00 0.00 +0.012 A BRANCH 23 29 ATOM 29 C LIG 1 -2.506 0.899 -2.129 0.00 0.00 +0.247 C ATOM 30 N LIG 1 -3.468 0.140 -2.746 0.00 0.00 -0.292 N ATOM 31 C LIG 1 -4.788 -0.276 -2.301 0.00 0.00 +0.146 C ATOM 32 C LIG 1 -4.430 -1.683 -2.809 0.00 0.00 +0.200 C ATOM 33 F LIG 1 -5.370 -2.301 -3.562 0.00 0.00 -0.242 F ATOM 34 C LIG 1 -3.257 -1.043 -3.568 0.00 0.00 +0.146 C ATOM 35 O LIG 1 -1.311 0.837 -2.390 0.00 0.00 -0.270 OA ENDBRANCH 23 29 ENDBRANCH 5 22 BRANCH 3 36 ATOM 36 C LIG 1 -2.298 -2.869 2.268 0.00 0.00 +0.038 C ATOM 37 C LIG 1 -1.822 -4.234 1.825 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -3.175 -3.746 1.402 0.00 0.00 +0.010 C ENDBRANCH 3 36 TORSDOF 6