REMARK Name = BDB036155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.837 2.022 1.552 0.00 0.00 +0.186 A ATOM 2 C LIG 1 -2.445 2.087 0.218 0.00 0.00 +0.167 A ATOM 3 N LIG 1 -2.816 3.119 -0.574 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 -3.539 4.097 -0.008 0.00 0.00 +0.223 A ATOM 5 N LIG 1 -3.933 4.150 1.268 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -3.569 3.095 2.023 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.630 1.075 -0.349 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -1.368 0.993 -1.770 0.00 0.00 +0.115 C ATOM 9 C LIG 1 -0.056 0.257 -1.408 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -0.188 -1.266 -1.313 0.00 0.00 +0.025 C ATOM 11 C LIG 1 1.088 -1.851 -0.696 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.348 -1.291 -1.221 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 2.136 -0.492 -2.430 0.00 0.00 +0.085 C ATOM 14 C LIG 1 1.157 0.672 -2.251 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -0.212 1.026 -0.069 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.128 -0.620 -0.170 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 4.573 -0.240 -0.570 0.00 0.00 +0.006 C ATOM 18 C LIG 1 5.413 -1.428 -1.112 0.00 0.00 -0.006 C ATOM 19 C LIG 1 6.744 -0.867 -1.658 0.00 0.00 +0.015 C ATOM 20 C LIG 1 7.526 -0.131 -0.546 0.00 0.00 +0.018 C ATOM 21 C LIG 1 6.716 -0.229 0.792 0.00 0.00 -0.001 C ATOM 22 C LIG 1 6.466 -1.709 1.160 0.00 0.00 +0.004 C ATOM 23 C LIG 1 7.854 1.318 -0.920 0.00 0.00 +0.131 C ATOM 24 C LIG 1 9.105 1.582 -0.136 0.00 0.00 +0.308 C ATOM 25 O LIG 1 9.551 2.682 0.142 0.00 0.00 -0.251 OA ATOM 26 O LIG 1 9.698 0.399 0.197 0.00 0.00 -0.464 OA ATOM 27 C LIG 1 8.954 -0.662 -0.402 0.00 0.00 +0.239 C ATOM 28 C LIG 1 5.744 -2.424 0.013 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.314 0.401 0.627 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -2.492 1.054 2.457 0.00 0.00 -0.450 OA BRANCH 30 32 ATOM 31 C LIG 1 -4.041 -0.756 1.780 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -2.787 -0.260 2.169 0.00 0.00 +0.141 A ATOM 33 C LIG 1 -1.736 -1.160 2.408 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -1.915 -2.530 2.217 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -3.160 -3.004 1.827 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -3.343 -4.321 1.669 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -4.227 -2.138 1.629 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -5.985 0.166 0.516 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -5.243 0.099 1.708 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -5.559 0.663 2.753 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -8.284 0.145 1.503 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -7.308 0.833 0.544 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -7.214 2.334 0.821 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -5.477 -0.320 -0.794 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -5.428 0.784 -1.855 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -6.290 -1.511 -1.308 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8