REMARK Name = BDB019099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.201 0.987 -2.132 0.00 0.00 +0.166 A ATOM 2 C LIG 1 0.281 0.531 -0.923 0.00 0.00 +0.095 A ATOM 3 N LIG 1 1.635 0.807 -0.949 0.00 0.00 -0.269 N ATOM 4 C LIG 1 2.508 0.511 0.119 0.00 0.00 +0.202 A ATOM 5 N LIG 1 2.031 -0.075 1.184 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 0.681 -0.363 1.222 0.00 0.00 +0.125 A ATOM 7 C LIG 1 1.902 1.373 -2.171 0.00 0.00 +0.208 A ATOM 8 C LIG 1 -0.217 -0.094 0.251 0.00 0.00 +0.027 A ATOM 9 N LIG 1 0.817 1.507 -2.903 0.00 0.00 -0.224 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.620 -0.481 0.477 0.00 0.00 -0.014 A ATOM 11 C LIG 1 -2.424 0.247 1.362 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -3.761 -0.106 1.551 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -4.320 -1.188 0.855 0.00 0.00 -0.033 A ATOM 14 C LIG 1 -3.508 -1.922 -0.021 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -2.168 -1.573 -0.207 0.00 0.00 +0.009 A BRANCH 13 16 ATOM 16 C LIG 1 -5.778 -1.553 1.044 0.00 0.00 +0.119 C BRANCH 16 17 ATOM 17 N LIG 1 -6.690 -0.449 0.733 0.00 0.00 -0.298 NA ATOM 18 C LIG 1 -8.083 -0.791 1.020 0.00 0.00 +0.085 C ATOM 19 C LIG 1 -8.856 0.306 0.307 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -7.950 0.750 -0.837 0.00 0.00 +0.017 C ATOM 21 C LIG 1 -6.680 -0.076 -0.685 0.00 0.00 +0.085 C ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 23 ATOM 22 N LIG 1 -2.638 0.923 -3.023 0.00 0.00 -0.189 NA ATOM 23 C LIG 1 -1.548 0.957 -2.621 0.00 0.00 +0.121 C ENDBRANCH 1 23 BRANCH 4 24 ATOM 24 N LIG 1 3.841 0.844 0.004 0.00 0.00 -0.310 N ATOM 25 H LIG 1 4.074 1.619 -0.607 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 4.730 0.757 1.151 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 6.150 0.922 0.693 0.00 0.00 +0.012 A ATOM 28 C LIG 1 6.824 -0.073 -0.010 0.00 0.00 +0.005 A ATOM 29 C LIG 1 6.350 -1.397 -0.482 0.00 0.00 +0.080 C ATOM 30 C LIG 1 7.692 -2.010 -0.882 0.00 0.00 +0.234 C ATOM 31 O LIG 1 8.638 -0.948 -1.143 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 8.127 0.119 -0.451 0.00 0.00 +0.124 A ATOM 33 C LIG 1 8.816 1.292 -0.224 0.00 0.00 +0.049 A ATOM 34 C LIG 1 8.164 2.302 0.484 0.00 0.00 +0.042 A ATOM 35 C LIG 1 6.850 2.111 0.931 0.00 0.00 +0.129 A ATOM 36 F LIG 1 6.249 3.113 1.589 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 4 24 TORSDOF 7