REMARK Name = BDB035714 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.266 0.981 0.379 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -1.519 1.196 0.962 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.844 1.757 1.992 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.516 0.596 0.066 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.890 0.544 0.217 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.636 -0.095 -0.782 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.968 -0.666 -1.894 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.569 -0.599 -2.035 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.857 0.042 -1.025 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.385 0.258 -0.881 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.451 1.450 0.715 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.182 1.104 0.206 0.00 0.00 +0.028 A ATOM 13 C LIG 1 0.995 1.360 0.916 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.109 1.986 2.162 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.358 2.325 2.690 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.521 2.052 1.977 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.707 1.137 -0.108 0.00 0.00 +0.119 C BRANCH 17 18 ATOM 18 C LIG 1 5.746 2.222 0.011 0.00 0.00 +0.143 A ATOM 19 N LIG 1 5.688 3.429 -0.645 0.00 0.00 -0.320 N ATOM 20 C LIG 1 4.662 3.899 -1.536 0.00 0.00 +0.151 C ATOM 21 C LIG 1 6.792 4.125 -0.261 0.00 0.00 +0.224 A ATOM 22 N LIG 1 7.492 3.406 0.582 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 6.830 2.218 0.763 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 26 ATOM 24 C LIG 1 6.768 -1.538 1.000 0.00 0.00 +0.123 C ATOM 25 C LIG 1 5.702 -0.620 1.641 0.00 0.00 +0.067 C ATOM 26 C LIG 1 5.185 -0.307 0.201 0.00 0.00 +0.084 C ATOM 27 C LIG 1 6.610 -0.722 -0.305 0.00 0.00 +0.067 C BRANCH 24 29 ATOM 28 C LIG 1 7.391 -3.820 0.447 0.00 0.00 +0.194 C ATOM 29 O LIG 1 6.381 -2.932 0.910 0.00 0.00 -0.380 OA ENDBRANCH 24 29 BRANCH 26 30 ATOM 30 O LIG 1 4.158 -1.241 -0.271 0.00 0.00 -0.387 OA ATOM 31 H LIG 1 4.460 -2.116 0.048 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 -1.863 -1.211 -3.215 0.00 0.00 +0.418 C ATOM 33 F LIG 1 -2.702 -1.644 -4.195 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -1.009 -0.334 -3.813 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -1.104 -2.284 -2.863 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 -6.140 -0.216 -0.658 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 -6.501 -1.577 -0.261 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 -5.943 -1.829 0.556 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 -7.952 -1.736 -0.065 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -8.171 -3.092 0.674 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -9.143 -2.346 1.613 0.00 0.00 +0.004 C ATOM 42 C LIG 1 -8.395 -1.045 1.256 0.00 0.00 +0.022 C ATOM 43 C LIG 1 -8.790 -1.543 -1.317 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 10