REMARK Name = BDB005162 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.669 0.647 0.167 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.354 0.186 0.128 0.00 0.00 +0.022 A ATOM 3 C LIG 1 0.753 1.073 0.055 0.00 0.00 +0.041 A ATOM 4 C LIG 1 0.545 2.464 0.048 0.00 0.00 +0.088 A ATOM 5 N LIG 1 1.596 3.312 0.005 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 2.825 2.785 -0.018 0.00 0.00 +0.223 A ATOM 7 N LIG 1 3.119 1.488 -0.024 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -0.787 2.921 0.086 0.00 0.00 +0.063 A ATOM 9 C LIG 1 2.092 0.631 -0.002 0.00 0.00 +0.130 A ATOM 10 C LIG 1 -1.873 2.023 0.142 0.00 0.00 +0.023 A ENDROOT BRANCH 1 14 ATOM 11 N LIG 1 -4.785 -1.175 0.035 0.00 0.00 -0.268 N ATOM 12 N LIG 1 -4.057 -2.156 0.603 0.00 0.00 -0.179 NA ATOM 13 C LIG 1 -2.845 -1.613 0.731 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -2.779 -0.288 0.239 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.060 -0.041 -0.209 0.00 0.00 +0.117 A BRANCH 11 17 ATOM 16 C LIG 1 -7.009 -1.631 1.006 0.00 0.00 +0.032 C ATOM 17 C LIG 1 -6.199 -1.381 -0.265 0.00 0.00 +0.101 C ATOM 18 C LIG 1 -6.397 -2.503 -1.283 0.00 0.00 +0.032 C ENDBRANCH 11 17 ENDBRANCH 1 14 BRANCH 8 19 ATOM 19 C LIG 1 -1.157 4.372 0.071 0.00 0.00 +0.244 C ATOM 20 O LIG 1 -2.327 4.735 0.017 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -0.159 5.299 0.118 0.00 0.00 -0.325 N ATOM 22 H LIG 1 0.817 5.016 0.107 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -0.398 6.279 0.071 0.00 0.00 +0.145 HD ENDBRANCH 8 19 BRANCH 9 24 ATOM 24 N LIG 1 2.362 -0.749 -0.025 0.00 0.00 -0.324 N ATOM 25 H LIG 1 1.851 -1.166 -0.798 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.745 -1.249 0.012 0.00 0.00 +0.086 C ATOM 27 C LIG 1 4.536 -0.862 1.281 0.00 0.00 +0.103 C ATOM 28 N LIG 1 5.847 -1.525 1.390 0.00 0.00 -0.314 NA ATOM 29 H LIG 1 5.759 -2.386 1.928 0.00 0.00 +0.122 HD ATOM 30 C LIG 1 6.471 -1.817 0.098 0.00 0.00 +0.081 C ATOM 31 C LIG 1 6.035 -0.868 -1.017 0.00 0.00 +0.017 C ATOM 32 C LIG 1 4.530 -0.961 -1.277 0.00 0.00 +0.025 C ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 5