REMARK Name = BDB038835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.709 2.281 0.423 0.00 0.00 +0.129 A ATOM 2 C LIG 1 -3.729 1.625 1.159 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -4.879 2.371 1.502 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -5.010 3.715 1.120 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -4.013 4.327 0.369 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -2.870 3.612 0.017 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -3.541 0.225 1.606 0.00 0.00 -0.007 A ATOM 8 C LIG 1 -3.605 -0.870 0.694 0.00 0.00 -0.001 A ATOM 9 C LIG 1 -3.354 -2.145 1.246 0.00 0.00 +0.127 A ATOM 10 F LIG 1 -3.358 -3.221 0.443 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -3.084 -2.359 2.597 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -3.040 -1.284 3.468 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -3.261 -0.002 2.974 0.00 0.00 +0.009 A BRANCH 8 14 ATOM 14 C LIG 1 -3.881 -0.699 -0.873 0.00 0.00 +0.022 C ATOM 15 C LIG 1 -5.105 0.134 -1.364 0.00 0.00 +0.008 C ATOM 16 C LIG 1 -5.178 -0.813 -2.576 0.00 0.00 +0.001 C ATOM 17 C LIG 1 -4.519 -1.875 -1.678 0.00 0.00 +0.008 C ENDBRANCH 8 14 ENDBRANCH 2 7 BRANCH 3 18 ATOM 18 C LIG 1 -5.990 1.823 2.308 0.00 0.00 +0.338 C ATOM 19 O LIG 1 -6.522 2.388 3.246 0.00 0.00 -0.245 OA BRANCH 18 20 ATOM 20 O LIG 1 -6.435 0.646 1.842 0.00 0.00 -0.477 OA ATOM 21 H LIG 1 -7.164 0.398 2.446 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 3 18 BRANCH 1 22 ATOM 22 O LIG 1 -1.598 1.528 0.136 0.00 0.00 -0.488 OA BRANCH 22 25 ATOM 23 C LIG 1 0.811 0.191 -0.891 0.00 0.00 +0.077 C ATOM 24 C LIG 1 0.778 1.290 0.177 0.00 0.00 +0.066 C ATOM 25 C LIG 1 -0.387 2.186 -0.234 0.00 0.00 +0.175 C ATOM 26 C LIG 1 -0.242 2.222 -1.752 0.00 0.00 +0.046 C ATOM 27 C LIG 1 0.141 0.792 -2.133 0.00 0.00 +0.026 C BRANCH 23 29 ATOM 28 C LIG 1 2.840 -1.105 -0.305 0.00 0.00 +0.230 C ATOM 29 N LIG 1 2.159 -0.266 -1.170 0.00 0.00 -0.311 N ATOM 30 H LIG 1 2.752 0.274 -1.794 0.00 0.00 +0.149 HD ATOM 31 O LIG 1 2.343 -1.593 0.704 0.00 0.00 -0.274 OA BRANCH 28 34 ATOM 32 C LIG 1 5.044 0.774 0.109 0.00 0.00 +0.105 C ATOM 33 N LIG 1 5.089 -0.175 -1.011 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 4.267 -1.402 -0.780 0.00 0.00 +0.143 C ATOM 35 C LIG 1 5.102 -2.264 0.156 0.00 0.00 +0.036 C ATOM 36 C LIG 1 6.548 -2.008 -0.307 0.00 0.00 -0.020 C ATOM 37 C LIG 1 7.054 -3.178 -1.165 0.00 0.00 +0.012 C ATOM 38 C LIG 1 7.482 -1.831 0.896 0.00 0.00 +0.012 C ATOM 39 C LIG 1 6.458 -0.718 -1.159 0.00 0.00 +0.091 C ENDBRANCH 28 34 ENDBRANCH 23 29 ENDBRANCH 22 25 ENDBRANCH 1 22 TORSDOF 8