REMARK Name = BDB063449 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.640 -0.525 0.382 0.00 0.00 -0.281 N ATOM 2 H LIG 1 -0.183 -0.664 0.957 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 1.779 -0.513 2.517 0.00 0.00 +0.141 A ATOM 4 C LIG 1 1.838 -0.415 1.107 0.00 0.00 +0.076 A ATOM 5 C LIG 1 3.086 -0.214 0.499 0.00 0.00 +0.038 A ATOM 6 C LIG 1 4.265 -0.109 1.252 0.00 0.00 +0.019 A ATOM 7 C LIG 1 4.175 -0.210 2.645 0.00 0.00 +0.015 A ATOM 8 C LIG 1 2.945 -0.410 3.276 0.00 0.00 +0.048 A BRANCH 6 9 ATOM 9 C LIG 1 5.580 0.102 0.632 0.00 0.00 +0.139 A ATOM 10 N LIG 1 5.794 0.229 -0.724 0.00 0.00 -0.338 N ATOM 11 H LIG 1 5.079 0.192 -1.435 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 7.134 0.415 -0.948 0.00 0.00 +0.069 A ATOM 13 C LIG 1 7.697 0.393 0.323 0.00 0.00 +0.092 A ATOM 14 C LIG 1 9.081 0.558 0.471 0.00 0.00 +0.071 A ATOM 15 C LIG 1 9.843 0.739 -0.683 0.00 0.00 +0.161 A ATOM 16 C LIG 1 9.255 0.757 -1.946 0.00 0.00 +0.160 A ATOM 17 F LIG 1 10.020 0.934 -3.033 0.00 0.00 -0.202 F ATOM 18 F LIG 1 11.169 0.899 -0.566 0.00 0.00 -0.202 F ATOM 19 C LIG 1 7.879 0.595 -2.115 0.00 0.00 +0.069 A ATOM 20 N LIG 1 6.732 0.201 1.276 0.00 0.00 -0.228 NA ENDBRANCH 6 9 BRANCH 3 22 ATOM 21 C LIG 1 0.408 -0.828 4.446 0.00 0.00 +0.277 C ATOM 22 O LIG 1 0.518 -0.709 3.034 0.00 0.00 -0.493 OA ENDBRANCH 3 22 ENDBRANCH 1 4 BRANCH 1 23 ATOM 23 C LIG 1 0.291 -0.488 -0.961 0.00 0.00 +0.221 A ATOM 24 N LIG 1 -1.019 -0.636 -1.206 0.00 0.00 -0.199 NA ATOM 25 C LIG 1 -1.452 -0.619 -2.482 0.00 0.00 +0.130 A ATOM 26 C LIG 1 -0.569 -0.435 -3.527 0.00 0.00 +0.064 A ATOM 27 C LIG 1 0.753 -0.288 -3.192 0.00 0.00 +0.118 A ATOM 28 N LIG 1 1.204 -0.316 -1.928 0.00 0.00 -0.223 NA BRANCH 25 29 ATOM 29 N LIG 1 -2.843 -0.762 -2.761 0.00 0.00 -0.288 N ATOM 30 C LIG 1 -3.105 -2.028 -3.457 0.00 0.00 +0.137 C BRANCH 29 31 ATOM 31 C LIG 1 -3.867 -0.297 -1.871 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -5.075 -1.016 -1.668 0.00 0.00 +0.053 A ATOM 33 C LIG 1 -5.996 -0.418 -0.787 0.00 0.00 +0.095 A ATOM 34 C LIG 1 -5.710 0.843 -0.159 0.00 0.00 +0.023 A ATOM 35 C LIG 1 -6.789 1.161 0.631 0.00 0.00 +0.044 A ATOM 36 N LIG 1 -7.649 0.102 0.458 0.00 0.00 -0.270 N ATOM 37 C LIG 1 -8.945 -0.071 1.075 0.00 0.00 +0.172 C ATOM 38 C LIG 1 -7.090 2.316 1.510 0.00 0.00 +0.066 C ATOM 39 C LIG 1 -4.562 1.604 -0.320 0.00 0.00 +0.013 A ATOM 40 N LIG 1 -7.205 -0.847 -0.393 0.00 0.00 -0.171 NA ATOM 41 C LIG 1 -3.659 0.975 -1.208 0.00 0.00 +0.024 A ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 1 23 TORSDOF 6