REMARK Name = BDB020742 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.866 2.355 0.667 0.00 0.00 +0.007 A ATOM 2 C LIG 1 0.547 1.015 0.811 0.00 0.00 +0.055 A ATOM 3 N LIG 1 1.699 0.300 1.153 0.00 0.00 -0.318 N ATOM 4 C LIG 1 1.712 -1.105 1.401 0.00 0.00 +0.044 A ATOM 5 C LIG 1 0.527 -1.780 1.322 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -0.686 -1.037 0.945 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.328 -3.245 1.619 0.00 0.00 +0.046 C ATOM 8 C LIG 1 2.731 1.221 1.205 0.00 0.00 +0.092 A ATOM 9 C LIG 1 -0.666 0.286 0.694 0.00 0.00 +0.040 A ATOM 10 C LIG 1 2.249 2.480 0.932 0.00 0.00 +0.028 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -1.674 4.413 -1.164 0.00 0.00 +0.119 A ATOM 12 N LIG 1 -1.898 5.420 -0.295 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 -1.214 5.418 0.870 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -0.300 4.447 1.227 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -0.087 3.400 0.339 0.00 0.00 -0.011 A ATOM 16 C LIG 1 -0.787 3.381 -0.869 0.00 0.00 +0.052 A BRANCH 11 18 ATOM 17 C LIG 1 -3.140 5.561 -2.677 0.00 0.00 +0.127 C ATOM 18 N LIG 1 -2.370 4.360 -2.389 0.00 0.00 -0.332 N ATOM 19 H LIG 1 -1.698 4.166 -3.127 0.00 0.00 +0.147 HD ENDBRANCH 11 18 ENDBRANCH 1 15 BRANCH 6 20 ATOM 20 C LIG 1 -2.015 -1.703 0.772 0.00 0.00 +0.245 C ATOM 21 N LIG 1 -2.991 -1.190 1.592 0.00 0.00 -0.307 N ATOM 22 H LIG 1 -2.776 -0.371 2.155 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -2.181 -2.613 -0.029 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.399 -1.424 1.354 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -4.957 -0.334 0.489 0.00 0.00 +0.075 A ATOM 26 C LIG 1 -4.718 1.079 0.921 0.00 0.00 +0.257 A ATOM 27 O LIG 1 -4.112 1.343 1.957 0.00 0.00 -0.267 OA ATOM 28 N LIG 1 -5.192 2.066 0.093 0.00 0.00 -0.326 N ATOM 29 H LIG 1 -4.967 3.015 0.371 0.00 0.00 +0.169 HD ATOM 30 C LIG 1 -5.870 1.841 -1.081 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.290 3.041 -1.871 0.00 0.00 +0.063 C ATOM 32 C LIG 1 -6.106 0.577 -1.462 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -5.661 -0.528 -0.641 0.00 0.00 +0.132 A BRANCH 33 34 ATOM 34 O LIG 1 -5.917 -1.786 -1.146 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 -7.261 -2.193 -0.890 0.00 0.00 +0.277 C ENDBRANCH 33 34 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 6 20 BRANCH 4 36 ATOM 36 C LIG 1 3.042 -1.797 1.754 0.00 0.00 +0.101 C ATOM 37 C LIG 1 3.403 -1.430 3.208 0.00 0.00 +0.031 C BRANCH 36 38 ATOM 38 N LIG 1 4.121 -1.549 0.765 0.00 0.00 -0.292 NA ATOM 39 C LIG 1 5.432 -2.137 1.108 0.00 0.00 +0.100 C ATOM 40 C LIG 1 5.719 -3.505 0.446 0.00 0.00 +0.100 C ATOM 41 N LIG 1 5.628 -3.501 -1.027 0.00 0.00 -0.292 NA ATOM 42 C LIG 1 4.888 -2.327 -1.525 0.00 0.00 +0.100 C ATOM 43 C LIG 1 3.703 -1.969 -0.600 0.00 0.00 +0.100 C BRANCH 41 44 ATOM 44 C LIG 1 6.939 -3.677 -1.700 0.00 0.00 +0.198 C BRANCH 44 45 ATOM 45 C LIG 1 8.078 -2.650 -1.516 0.00 0.00 +0.402 C ATOM 46 F LIG 1 7.785 -1.458 -2.079 0.00 0.00 -0.169 F ATOM 47 F LIG 1 8.360 -2.436 -0.211 0.00 0.00 -0.169 F ATOM 48 F LIG 1 9.214 -3.101 -2.102 0.00 0.00 -0.169 F ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 36 38 ENDBRANCH 4 36 TORSDOF 10