REMARK Name = BDB024117 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.326 -1.508 2.192 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.514 -0.756 2.772 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.656 0.635 2.669 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.774 1.277 3.201 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -4.774 0.542 3.837 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -4.654 -0.840 3.941 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.535 -1.484 3.413 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.844 -1.247 1.118 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.451 -2.034 0.615 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.030 -0.740 2.119 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.333 0.131 2.929 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.561 0.152 -0.145 0.00 0.00 +0.020 A ATOM 13 C LIG 1 3.794 0.803 0.813 0.00 0.00 +0.123 A ATOM 14 N LIG 1 2.582 0.376 1.251 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 2.088 -0.758 0.726 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.778 -1.481 -0.241 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.023 -1.021 -0.678 0.00 0.00 +0.015 A BRANCH 12 21 ATOM 18 C LIG 1 8.705 2.808 -0.781 0.00 0.00 +0.150 C ATOM 19 N LIG 1 7.676 1.804 -0.875 0.00 0.00 -0.339 N ATOM 20 C LIG 1 6.488 1.799 -0.197 0.00 0.00 +0.115 A ATOM 21 C LIG 1 5.855 0.635 -0.589 0.00 0.00 +0.090 A ATOM 22 N LIG 1 6.637 -0.045 -1.499 0.00 0.00 -0.236 NA ATOM 23 C LIG 1 7.721 0.683 -1.649 0.00 0.00 +0.199 A ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.638 -2.200 0.898 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.405 -2.850 1.078 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.018 -1.297 -0.206 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.536 -1.174 -0.428 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -3.877 -0.503 -1.741 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -4.642 -1.182 -2.703 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -4.958 -0.573 -3.918 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -4.518 0.727 -4.188 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -3.767 1.417 -3.230 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.455 0.807 -2.011 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -4.822 1.336 -5.449 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -5.061 1.803 -6.483 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9