REMARK Name = BDB039019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.441 -0.949 0.130 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.430 -0.015 -0.008 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.059 -0.491 0.137 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.001 0.495 -0.290 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.327 1.800 -0.726 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.324 2.690 -1.132 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.972 2.335 -1.095 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.656 1.048 -0.643 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.538 0.364 -0.472 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.235 -0.894 0.019 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.070 -1.032 0.156 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.775 2.216 -0.812 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.636 0.145 -0.247 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.650 1.417 0.149 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.253 -2.157 0.215 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.214 -1.986 0.365 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.024 -2.454 1.825 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.164 -3.711 1.928 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -0.773 -4.883 1.157 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -1.592 -4.456 -0.061 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.089 -3.143 -0.648 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.748 -1.317 0.292 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.679 -0.381 0.159 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.855 0.943 -0.755 0.00 0.00 +0.090 C ATOM 25 C LIG 1 -2.624 0.170 -1.832 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -2.654 1.199 0.539 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -3.812 2.150 0.347 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -5.116 1.661 0.177 0.00 0.00 +0.018 A ATOM 29 C LIG 1 -6.189 2.542 -0.017 0.00 0.00 +0.059 A ATOM 30 C LIG 1 -5.957 3.922 -0.041 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -4.663 4.415 0.128 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -3.596 3.534 0.320 0.00 0.00 +0.004 A BRANCH 29 33 ATOM 33 C LIG 1 -7.544 1.967 -0.194 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -7.818 0.781 -0.202 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -8.494 2.905 -0.355 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -9.321 2.388 -0.455 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7