REMARK Name = BDB035401 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.094 -0.344 -0.770 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.033 -0.278 -1.597 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.170 -0.483 -2.789 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.162 0.130 -0.752 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.484 0.325 -1.112 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.384 0.716 -0.113 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -2.921 0.892 1.215 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.572 0.691 1.564 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.703 0.303 0.547 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.761 0.010 0.603 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.780 -1.065 -0.589 0.00 0.00 -0.010 A ATOM 12 C LIG 1 3.466 -0.699 -0.230 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.409 -0.723 -1.159 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.701 -1.135 -2.464 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.993 -1.525 -2.830 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.025 -1.497 -1.898 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 5.901 -1.008 0.439 0.00 0.00 +0.215 C BRANCH 17 18 ATOM 18 C LIG 1 7.112 -0.249 -0.038 0.00 0.00 +0.167 A ATOM 19 N LIG 1 7.111 1.076 -0.406 0.00 0.00 -0.318 N ATOM 20 C LIG 1 6.001 1.991 -0.434 0.00 0.00 +0.151 C ATOM 21 C LIG 1 8.390 1.380 -0.756 0.00 0.00 +0.224 A ATOM 22 N LIG 1 9.149 0.324 -0.603 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 8.350 -0.700 -0.155 0.00 0.00 -0.132 NA ENDBRANCH 17 18 BRANCH 17 25 ATOM 24 C LIG 1 6.811 -2.542 2.019 0.00 0.00 +0.195 C ATOM 25 O LIG 1 6.258 -2.367 0.722 0.00 0.00 -0.367 OA ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 26 ATOM 26 C LIG 1 -1.084 0.868 2.975 0.00 0.00 +0.418 C ATOM 27 F LIG 1 -2.018 1.367 3.828 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -0.019 1.717 3.045 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -0.653 -0.302 3.521 0.00 0.00 -0.166 F ENDBRANCH 8 26 BRANCH 6 30 ATOM 30 C LIG 1 -4.847 0.932 -0.436 0.00 0.00 +0.116 C BRANCH 30 31 ATOM 31 N LIG 1 -5.660 -0.107 0.195 0.00 0.00 -0.307 NA ATOM 32 H LIG 1 -5.385 -1.013 -0.185 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 -7.101 0.166 0.090 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -7.495 1.296 1.082 0.00 0.00 +0.022 C ATOM 35 C LIG 1 -8.639 0.384 1.571 0.00 0.00 +0.004 C ATOM 36 C LIG 1 -7.813 -0.818 1.067 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -7.651 0.195 -1.323 0.00 0.00 +0.027 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 8