REMARK Name = BDB021554 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.551 0.620 -4.540 0.00 0.00 +0.053 C ATOM 2 C LIG 1 -0.195 0.527 -3.060 0.00 0.00 +0.188 C ATOM 3 O LIG 1 1.221 0.401 -2.995 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 1.810 0.430 -1.762 0.00 0.00 +0.137 A ATOM 5 C LIG 1 1.227 0.348 -0.492 0.00 0.00 +0.079 A ATOM 6 C LIG 1 2.082 0.437 0.633 0.00 0.00 +0.020 A ATOM 7 C LIG 1 3.471 0.576 0.510 0.00 0.00 +0.046 A ATOM 8 C LIG 1 4.045 0.629 -0.750 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -0.216 0.158 -0.145 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.607 0.554 0.958 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.106 -0.471 -1.009 0.00 0.00 -0.291 N ATOM 12 C LIG 1 3.209 0.558 -1.869 0.00 0.00 +0.092 A ATOM 13 C LIG 1 -0.840 -0.698 -2.422 0.00 0.00 +0.152 C ENDROOT BRANCH 8 14 ATOM 14 O LIG 1 5.373 0.746 -1.041 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 6.336 0.771 0.031 0.00 0.00 +0.176 C ATOM 16 C LIG 1 6.605 -0.654 0.555 0.00 0.00 +0.060 C ATOM 17 C LIG 1 8.093 -0.942 0.782 0.00 0.00 +0.087 C ATOM 18 N LIG 1 8.763 0.215 1.373 0.00 0.00 -0.305 NA ATOM 19 C LIG 1 10.136 -0.109 1.772 0.00 0.00 +0.104 C ATOM 20 C LIG 1 8.741 1.397 0.486 0.00 0.00 +0.087 C ATOM 21 C LIG 1 7.615 1.375 -0.549 0.00 0.00 +0.060 C ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 22 ATOM 22 C LIG 1 -2.442 -0.845 -0.503 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.446 0.325 -0.584 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -3.236 1.280 0.462 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -2.302 1.208 0.748 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.917 -0.167 -0.579 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.228 -1.211 0.425 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.356 -0.664 1.794 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.661 0.055 2.083 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -7.815 -0.201 1.320 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -9.019 0.446 1.640 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.083 1.326 2.723 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.946 1.569 3.490 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.742 -1.122 0.126 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.742 0.934 3.175 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.454 -1.961 0.096 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 7