REMARK Name = BDB008737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.455 0.519 -0.210 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -1.133 0.449 -0.450 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -0.431 -0.483 0.227 0.00 0.00 +0.116 A ATOM 4 C LIG 1 -0.985 -1.350 1.151 0.00 0.00 +0.047 A ATOM 5 C LIG 1 -2.357 -1.270 1.403 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -3.101 -0.327 0.681 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.989 -2.185 2.346 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -3.756 -1.829 3.452 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -4.323 -2.833 4.228 0.00 0.00 +0.112 A ATOM 10 C LIG 1 -5.037 -2.167 5.237 0.00 0.00 +0.162 A ATOM 11 N LIG 1 -4.929 -0.840 5.144 0.00 0.00 -0.177 NA ATOM 12 N LIG 1 -4.165 -4.151 3.986 0.00 0.00 -0.232 NA ATOM 13 C LIG 1 -3.392 -4.402 2.925 0.00 0.00 +0.222 A ATOM 14 N LIG 1 -4.130 -0.659 4.067 0.00 0.00 -0.263 N ATOM 15 C LIG 1 -3.747 0.693 3.736 0.00 0.00 +0.173 C ATOM 16 N LIG 1 -2.799 -3.509 2.113 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 18 ATOM 17 C LIG 1 -4.387 1.973 -0.811 0.00 0.00 +0.235 C ATOM 18 N LIG 1 -3.098 1.510 -0.952 0.00 0.00 -0.269 N ATOM 19 H LIG 1 -2.463 1.985 -1.581 0.00 0.00 +0.156 HD ATOM 20 O LIG 1 -5.157 1.627 0.086 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 -4.771 3.068 -1.846 0.00 0.00 +0.137 C ATOM 22 C LIG 1 -4.495 2.642 -3.289 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 -7.184 2.617 -2.135 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -6.164 3.531 -1.630 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 -6.299 3.610 -0.617 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 3 26 ATOM 26 C LIG 1 0.963 -0.518 -0.077 0.00 0.00 -0.041 C ATOM 27 C LIG 1 2.136 -0.548 -0.333 0.00 0.00 -0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.533 -0.582 -0.638 0.00 0.00 +0.025 A ATOM 29 C LIG 1 4.133 -1.774 -1.043 0.00 0.00 +0.019 A ATOM 30 C LIG 1 5.500 -1.810 -1.341 0.00 0.00 +0.027 A ATOM 31 C LIG 1 6.282 -0.650 -1.237 0.00 0.00 +0.048 A ATOM 32 C LIG 1 5.669 0.545 -0.829 0.00 0.00 +0.027 A ATOM 33 C LIG 1 4.302 0.576 -0.532 0.00 0.00 +0.019 A BRANCH 31 34 ATOM 34 N LIG 1 7.676 -0.682 -1.540 0.00 0.00 -0.306 N ATOM 35 C LIG 1 8.571 0.367 -1.487 0.00 0.00 +0.115 A ATOM 36 C LIG 1 9.795 -0.141 -1.865 0.00 0.00 +0.056 A ATOM 37 C LIG 1 11.098 0.549 -1.978 0.00 0.00 +0.067 C ATOM 38 N LIG 1 9.686 -1.475 -2.149 0.00 0.00 -0.241 NA ATOM 39 C LIG 1 8.420 -1.768 -1.949 0.00 0.00 +0.204 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 3 26 TORSDOF 7