REMARK Name = BDB035446 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.797 1.108 -1.292 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.208 0.023 -0.633 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.707 -0.935 -0.070 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.246 0.220 -0.699 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.252 -0.589 -0.204 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.579 -0.182 -0.400 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.845 1.036 -1.071 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.808 1.851 -1.565 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.501 1.412 -1.365 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.209 2.052 -1.760 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.535 0.537 -1.277 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.139 0.354 -1.136 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.188 1.327 -1.485 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.657 2.527 -2.030 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.025 2.754 -2.181 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.943 1.777 -1.800 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.605 -0.585 -0.838 0.00 0.00 +0.061 C ATOM 18 C LIG 1 -5.221 -2.100 -0.964 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -5.842 -2.085 -2.375 0.00 0.00 +0.169 C ATOM 20 F LIG 1 -6.485 -3.213 -2.749 0.00 0.00 -0.245 F ATOM 21 C LIG 1 -6.731 -0.926 -1.886 0.00 0.00 +0.056 C BRANCH 17 24 ATOM 22 C LIG 1 -4.202 -0.662 2.073 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -5.556 -0.270 1.792 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.193 -0.222 0.582 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -7.420 0.220 0.765 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 -7.594 0.450 2.109 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -6.467 0.153 2.711 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 3.088 3.145 -2.280 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.508 4.209 -1.660 0.00 0.00 -0.166 F ATOM 30 F LIG 1 4.412 3.442 -2.380 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.601 3.147 -3.550 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.716 -1.023 0.143 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 4.890 -0.772 1.573 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 4.888 0.234 1.733 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.062 -1.475 2.136 0.00 0.00 +0.017 C ATOM 36 C LIG 1 6.212 -0.998 3.611 0.00 0.00 +0.022 C ATOM 37 C LIG 1 7.163 0.113 3.126 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.364 -0.688 1.824 0.00 0.00 +0.022 C ATOM 39 C LIG 1 6.056 -2.980 1.958 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7