REMARK Name = BDB035479 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.428 -0.667 0.333 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.723 -1.205 0.919 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.873 -1.909 1.901 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.865 -0.756 0.113 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.210 -1.025 0.295 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.118 -0.473 -0.618 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.640 0.340 -1.675 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.267 0.603 -1.846 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.391 0.034 -0.926 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.097 0.131 -0.841 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.175 -0.388 0.517 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.836 -0.227 0.102 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.768 -0.850 0.774 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.078 -1.650 1.879 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.400 -1.832 2.295 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.442 -1.210 1.618 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.299 0.307 -0.251 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 4.795 2.779 1.579 0.00 0.00 +0.151 C ATOM 19 N LIG 1 6.034 2.060 1.448 0.00 0.00 -0.320 N ATOM 20 C LIG 1 6.298 0.965 0.659 0.00 0.00 +0.141 A ATOM 21 N LIG 1 7.553 0.611 0.864 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 8.108 1.472 1.777 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 7.184 2.334 2.121 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 5.857 -0.691 -1.278 0.00 0.00 +0.009 C ATOM 25 C LIG 1 6.724 -1.917 -0.870 0.00 0.00 +0.041 C ATOM 26 C LIG 1 7.458 -1.761 -2.223 0.00 0.00 +0.167 C ATOM 27 F LIG 1 8.785 -2.012 -2.218 0.00 0.00 -0.245 F ATOM 28 C LIG 1 7.043 -0.271 -2.192 0.00 0.00 +0.041 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.759 1.472 -2.964 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.114 2.578 -2.500 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.728 1.921 -3.804 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.853 0.821 -3.746 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.605 -0.713 -0.462 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.263 0.501 0.023 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.760 0.825 0.850 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.706 0.302 0.244 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.941 -0.519 1.543 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -8.966 0.555 1.963 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -8.223 1.541 1.037 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.504 -0.040 -1.002 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8