REMARK Name = BDB046600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.017 -1.973 -0.476 0.00 0.00 +0.114 C ATOM 2 C LIG 1 -0.371 -1.565 -1.031 0.00 0.00 +0.095 C ATOM 3 C LIG 1 -1.284 -2.790 -1.160 0.00 0.00 +0.081 A ATOM 4 C LIG 1 -0.646 -4.109 -1.304 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -1.462 -5.223 -1.469 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -2.920 -5.036 -1.466 0.00 0.00 +0.273 A ATOM 7 N LIG 1 -3.360 -3.742 -1.332 0.00 0.00 -0.242 N ATOM 8 H LIG 1 -4.363 -3.584 -1.340 0.00 0.00 +0.192 HD ATOM 9 O LIG 1 -3.684 -5.988 -1.582 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -0.899 -6.487 -1.654 0.00 0.00 +0.014 A ATOM 11 C LIG 1 0.487 -6.619 -1.695 0.00 0.00 +0.003 A ATOM 12 C LIG 1 1.302 -5.493 -1.537 0.00 0.00 +0.023 A ATOM 13 C LIG 1 0.747 -4.228 -1.302 0.00 0.00 +0.037 A ATOM 14 N LIG 1 -2.577 -2.636 -1.198 0.00 0.00 -0.175 NA ATOM 15 N LIG 1 1.585 -3.110 -1.219 0.00 0.00 -0.336 N ATOM 16 H LIG 1 2.523 -3.342 -0.895 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 3.841 1.337 -0.629 0.00 0.00 -0.033 A ATOM 18 C LIG 1 3.469 0.667 -1.802 0.00 0.00 +0.005 A ATOM 19 C LIG 1 2.571 -0.402 -1.757 0.00 0.00 +0.006 A ATOM 20 C LIG 1 2.028 -0.833 -0.536 0.00 0.00 -0.026 A ATOM 21 C LIG 1 2.410 -0.168 0.638 0.00 0.00 +0.006 A ATOM 22 C LIG 1 3.307 0.902 0.591 0.00 0.00 +0.005 A BRANCH 17 23 ATOM 23 C LIG 1 4.800 2.508 -0.679 0.00 0.00 +0.119 C BRANCH 23 25 ATOM 24 C LIG 1 3.534 4.016 -2.132 0.00 0.00 +0.104 C ATOM 25 N LIG 1 4.212 3.845 -0.852 0.00 0.00 -0.304 NA ATOM 26 C LIG 1 3.353 4.247 0.257 0.00 0.00 +0.104 C ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 2 27 ATOM 27 C LIG 1 -0.991 -0.453 -0.182 0.00 0.00 -0.036 A ATOM 28 C LIG 1 -1.060 0.854 -0.688 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -1.579 1.893 0.088 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -2.047 1.649 1.386 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -1.974 0.346 1.894 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -1.454 -0.695 1.120 0.00 0.00 +0.004 A BRANCH 30 33 ATOM 33 C LIG 1 -2.592 2.781 2.233 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -3.925 2.509 2.801 0.00 0.00 -0.304 NA ATOM 35 C LIG 1 -4.951 2.458 1.756 0.00 0.00 +0.104 C ATOM 36 C LIG 1 -4.269 3.538 3.785 0.00 0.00 +0.104 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 2 27 TORSDOF 6