REMARK Name = BDB064636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.325 -0.738 1.403 0.00 0.00 +0.163 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 2.053 -2.434 1.899 0.00 0.00 -0.328 N ATOM 3 H LIG 1 2.762 -1.724 1.756 0.00 0.00 +0.145 HD ATOM 4 H LIG 1 2.356 -3.398 1.943 0.00 0.00 +0.145 HD ATOM 5 C LIG 1 0.738 -2.209 1.604 0.00 0.00 +0.231 C ATOM 6 O LIG 1 -0.041 -3.156 1.500 0.00 0.00 -0.274 OA ENDBRANCH 1 5 BRANCH 1 7 ATOM 7 N LIG 1 -1.117 -0.661 1.637 0.00 0.00 -0.302 N ATOM 8 H LIG 1 -1.663 -1.355 1.129 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 -1.735 0.541 1.877 0.00 0.00 +0.234 C ATOM 10 O LIG 1 -1.111 1.597 1.986 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 -3.276 0.504 1.934 0.00 0.00 +0.164 C ATOM 12 N LIG 1 -4.077 0.726 0.724 0.00 0.00 -0.287 N ATOM 13 C LIG 1 -3.597 0.289 -0.517 0.00 0.00 +0.221 C ATOM 14 O LIG 1 -2.600 -0.419 -0.638 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -5.465 0.352 1.030 0.00 0.00 +0.140 C ATOM 16 C LIG 1 -5.419 -0.372 2.393 0.00 0.00 +0.134 C ATOM 17 C LIG 1 -3.938 -0.691 2.606 0.00 0.00 +0.065 C BRANCH 16 18 ATOM 18 O LIG 1 -5.900 0.465 3.446 0.00 0.00 -0.390 OA ATOM 19 H LIG 1 -5.530 1.359 3.346 0.00 0.00 +0.210 HD ENDBRANCH 16 18 BRANCH 13 20 ATOM 20 C LIG 1 -4.382 0.791 -1.728 0.00 0.00 +0.134 C BRANCH 20 21 ATOM 21 C LIG 1 -5.046 -0.310 -2.482 0.00 0.00 -0.001 A ATOM 22 C LIG 1 -4.446 -1.403 -3.078 0.00 0.00 +0.198 A ATOM 23 O LIG 1 -5.367 -2.188 -3.690 0.00 0.00 -0.471 OA ATOM 24 C LIG 1 -6.576 -1.605 -3.494 0.00 0.00 +0.195 A ATOM 25 C LIG 1 -6.437 -0.449 -2.762 0.00 0.00 +0.045 A ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 9 11 ENDBRANCH 1 7 BRANCH 1 26 ATOM 26 C LIG 1 0.687 -0.262 -0.017 0.00 0.00 +0.067 C BRANCH 26 27 ATOM 27 C LIG 1 2.159 0.017 -0.207 0.00 0.00 -0.045 A ATOM 28 C LIG 1 2.753 1.129 0.401 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.119 1.380 0.239 0.00 0.00 +0.009 A ATOM 30 C LIG 1 4.930 0.531 -0.533 0.00 0.00 -0.018 A ATOM 31 C LIG 1 4.319 -0.578 -1.142 0.00 0.00 +0.009 A ATOM 32 C LIG 1 2.952 -0.831 -0.986 0.00 0.00 +0.004 A BRANCH 30 33 ATOM 33 C LIG 1 6.370 0.801 -0.706 0.00 0.00 -0.018 A ATOM 34 C LIG 1 7.189 1.117 0.393 0.00 0.00 +0.008 A ATOM 35 C LIG 1 8.554 1.375 0.229 0.00 0.00 +0.001 A ATOM 36 C LIG 1 9.126 1.320 -1.039 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.335 1.009 -2.143 0.00 0.00 +0.001 A ATOM 38 C LIG 1 6.971 0.754 -1.976 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9