REMARK Name = BDB005026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.803 -3.423 1.053 0.00 0.00 -0.029 A ATOM 2 C LIG 1 1.012 -2.306 1.373 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.275 -2.135 0.837 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -0.780 -3.147 0.015 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.006 -4.261 -0.319 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.284 -4.394 0.189 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.040 -1.020 1.245 0.00 0.00 -0.299 N ATOM 8 H LIG 1 -0.459 -0.305 1.667 0.00 0.00 +0.154 HD BRANCH 7 9 ATOM 9 C LIG 1 -2.134 -0.404 0.591 0.00 0.00 +0.123 A ATOM 10 N LIG 1 -2.488 -0.739 -0.665 0.00 0.00 -0.240 NA ATOM 11 C LIG 1 -3.547 -0.109 -1.224 0.00 0.00 +0.116 A ATOM 12 C LIG 1 -4.309 0.867 -0.592 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -3.941 1.195 0.712 0.00 0.00 +0.009 A ATOM 14 C LIG 1 -2.850 0.557 1.305 0.00 0.00 +0.044 A BRANCH 12 15 ATOM 15 C LIG 1 -5.481 1.510 -1.297 0.00 0.00 +0.023 C ATOM 16 C LIG 1 -5.364 3.039 -1.363 0.00 0.00 +0.023 C ATOM 17 C LIG 1 -6.543 3.637 -2.138 0.00 0.00 +0.081 C ATOM 18 N LIG 1 -7.840 3.009 -1.869 0.00 0.00 -0.316 NA ATOM 19 H LIG 1 -8.088 2.400 -2.649 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 -7.843 2.232 -0.634 0.00 0.00 +0.081 C ATOM 21 C LIG 1 -6.831 1.085 -0.684 0.00 0.00 +0.023 C ENDBRANCH 12 15 ENDBRANCH 7 9 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 C LIG 1 3.207 -3.550 1.599 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 4.162 -2.908 0.700 0.00 0.00 -0.324 N ATOM 24 H LIG 1 3.817 -2.935 -0.257 0.00 0.00 +0.148 HD BRANCH 23 28 ATOM 25 C LIG 1 6.675 1.091 -0.389 0.00 0.00 +0.063 A ATOM 26 C LIG 1 5.808 0.397 0.481 0.00 0.00 +0.088 A ATOM 27 C LIG 1 5.446 -0.919 0.129 0.00 0.00 +0.041 A ATOM 28 C LIG 1 4.560 -1.590 1.002 0.00 0.00 +0.130 A ATOM 29 N LIG 1 4.123 -1.028 2.139 0.00 0.00 -0.220 NA ATOM 30 C LIG 1 4.533 0.212 2.392 0.00 0.00 +0.223 A ATOM 31 C LIG 1 5.973 -1.509 -1.049 0.00 0.00 +0.013 A ATOM 32 C LIG 1 6.829 -0.810 -1.888 0.00 0.00 +0.002 A ATOM 33 N LIG 1 5.335 0.952 1.620 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 7.175 0.490 -1.560 0.00 0.00 +0.015 A BRANCH 25 38 ATOM 35 N LIG 1 6.666 3.151 0.958 0.00 0.00 -0.325 N ATOM 36 H LIG 1 6.998 4.084 1.150 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 6.056 2.682 1.621 0.00 0.00 +0.145 HD ATOM 38 C LIG 1 7.133 2.496 -0.143 0.00 0.00 +0.244 C ATOM 39 O LIG 1 7.912 3.061 -0.904 0.00 0.00 -0.270 OA ENDBRANCH 25 38 ENDBRANCH 23 28 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 7