REMARK Name = BDB035497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.638 -1.276 0.375 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.066 -0.093 0.620 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.318 1.034 0.870 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.495 -0.414 0.514 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.582 0.427 0.673 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.861 -0.120 0.516 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.999 -1.494 0.197 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.882 -2.336 0.039 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.625 -1.762 0.206 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.270 -2.382 0.098 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.327 -0.542 0.738 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.919 -0.390 0.721 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.051 -1.442 0.391 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.626 -2.680 0.076 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.011 -2.857 0.088 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.855 -1.797 0.414 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.181 0.683 1.097 0.00 0.00 +0.123 C BRANCH 17 20 ATOM 18 C LIG 1 -4.981 0.514 -2.137 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.037 1.685 -1.303 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.123 1.787 0.066 0.00 0.00 +0.143 A ATOM 21 N LIG 1 -5.149 3.073 0.374 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -5.098 3.807 -0.781 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.019 2.963 -1.779 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.616 0.355 1.577 0.00 0.00 +0.126 C ATOM 25 C LIG 1 -7.523 1.569 1.964 0.00 0.00 +0.198 C ATOM 26 O LIG 1 -8.664 0.914 1.331 0.00 0.00 -0.374 OA ATOM 27 C LIG 1 -7.741 0.124 0.528 0.00 0.00 +0.198 C BRANCH 24 28 ATOM 28 O LIG 1 -6.567 -0.662 2.633 0.00 0.00 -0.383 OA ATOM 29 H LIG 1 -7.487 -0.725 2.952 0.00 0.00 +0.210 HD ENDBRANCH 24 28 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.029 -3.791 -0.310 0.00 0.00 +0.418 C ATOM 31 F LIG 1 4.318 -4.217 -0.386 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.418 -4.601 0.600 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.458 -4.092 -1.509 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.093 0.747 0.664 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.736 0.929 -0.637 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.094 1.440 -1.243 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.072 1.546 -0.533 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.118 0.469 -0.129 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.287 0.118 -1.621 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.697 1.502 -1.960 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.107 2.900 0.143 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9