REMARK Name = BDB035472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.078 0.159 -1.236 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.731 0.361 -0.015 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.308 0.406 1.125 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.159 0.527 -0.314 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.203 0.753 0.565 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.492 0.877 0.032 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.682 0.768 -1.369 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.607 0.538 -2.249 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.340 0.419 -1.687 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.022 0.172 -2.346 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.613 -0.235 -0.541 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.225 -0.030 -0.360 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.317 -0.043 -1.429 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.832 -0.266 -2.714 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.199 -0.470 -2.918 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.082 -0.456 -1.841 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.511 -0.192 0.695 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 -5.883 -0.849 0.482 0.00 0.00 +0.005 C ATOM 19 C LIG 1 -5.905 -2.395 0.213 0.00 0.00 +0.016 C ATOM 20 C LIG 1 -7.091 -2.453 1.139 0.00 0.00 +0.018 C ATOM 21 C LIG 1 -8.460 -2.628 0.556 0.00 0.00 +0.169 C ATOM 22 O LIG 1 -8.588 -3.914 1.232 0.00 0.00 -0.379 OA ATOM 23 C LIG 1 -7.345 -3.675 1.958 0.00 0.00 +0.169 C ATOM 24 C LIG 1 -6.716 -1.149 1.780 0.00 0.00 +0.016 C ENDBRANCH 17 18 BRANCH 17 27 ATOM 25 C LIG 1 -5.070 2.609 -0.771 0.00 0.00 +0.151 C ATOM 26 N LIG 1 -4.927 2.364 0.638 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -4.689 1.180 1.292 0.00 0.00 +0.141 A ATOM 28 N LIG 1 -4.678 1.428 2.591 0.00 0.00 -0.134 NA ATOM 29 N LIG 1 -4.892 2.768 2.785 0.00 0.00 -0.138 NA ATOM 30 C LIG 1 -5.032 3.318 1.605 0.00 0.00 +0.224 A ENDBRANCH 17 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 3.813 0.408 -3.733 0.00 0.00 +0.418 C ATOM 32 F LIG 1 3.493 -0.835 -4.189 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.025 1.270 -4.435 0.00 0.00 -0.166 F ATOM 34 F LIG 1 5.088 0.647 -4.141 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.679 1.126 0.938 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.611 0.000 0.872 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.141 -0.828 1.238 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.901 0.288 1.528 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.844 -0.910 1.207 0.00 0.00 +0.022 C ATOM 40 C LIG 1 9.300 -0.167 -0.065 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.794 1.139 0.581 0.00 0.00 +0.022 C ATOM 42 C LIG 1 7.811 0.664 2.992 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8