REMARK Name = BDB063453 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.088 -0.850 -0.377 0.00 0.00 -0.284 N ATOM 2 H LIG 1 0.836 -1.827 -0.387 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 -2.329 -0.190 -1.098 0.00 0.00 +0.130 A ATOM 4 N LIG 1 -1.170 -0.829 -0.833 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -0.053 -0.102 -0.662 0.00 0.00 +0.221 A ATOM 6 N LIG 1 -0.023 1.232 -0.743 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -1.178 1.851 -1.028 0.00 0.00 +0.118 A ATOM 8 C LIG 1 -2.361 1.187 -1.218 0.00 0.00 +0.064 A BRANCH 3 9 ATOM 9 N LIG 1 -3.527 -0.928 -1.303 0.00 0.00 -0.288 N ATOM 10 C LIG 1 -3.337 -2.382 -1.221 0.00 0.00 +0.137 C BRANCH 9 18 ATOM 11 C LIG 1 -9.273 1.112 1.589 0.00 0.00 +0.066 C ATOM 12 C LIG 1 -8.569 0.496 0.438 0.00 0.00 +0.044 A ATOM 13 N LIG 1 -9.216 0.060 -0.694 0.00 0.00 -0.270 N ATOM 14 C LIG 1 -10.637 0.121 -0.957 0.00 0.00 +0.172 C ATOM 15 N LIG 1 -8.408 -0.485 -1.626 0.00 0.00 -0.171 NA ATOM 16 C LIG 1 -7.173 -0.395 -1.110 0.00 0.00 +0.095 A ATOM 17 C LIG 1 -5.942 -0.800 -1.652 0.00 0.00 +0.053 A ATOM 18 C LIG 1 -4.819 -0.545 -0.822 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -4.955 0.073 0.473 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -6.179 0.489 1.041 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -7.245 0.222 0.189 0.00 0.00 +0.023 A ENDBRANCH 9 18 ENDBRANCH 3 9 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 C LIG 1 2.440 -0.536 -0.219 0.00 0.00 +0.034 A ATOM 23 C LIG 1 3.332 -1.563 0.128 0.00 0.00 +0.036 A ATOM 24 C LIG 1 4.713 -1.337 0.335 0.00 0.00 +0.067 A ATOM 25 C LIG 1 5.218 -0.030 0.210 0.00 0.00 +0.029 A ATOM 26 C LIG 1 4.328 0.995 -0.146 0.00 0.00 +0.014 A ATOM 27 C LIG 1 2.964 0.747 -0.347 0.00 0.00 +0.024 A BRANCH 25 28 ATOM 28 C LIG 1 6.624 0.343 0.407 0.00 0.00 +0.140 A ATOM 29 N LIG 1 7.415 -0.092 1.448 0.00 0.00 -0.338 N ATOM 30 H LIG 1 7.131 -0.735 2.175 0.00 0.00 +0.167 HD ATOM 31 C LIG 1 8.653 0.483 1.336 0.00 0.00 +0.066 A ATOM 32 C LIG 1 8.551 1.288 0.210 0.00 0.00 +0.089 A ATOM 33 C LIG 1 9.661 2.040 -0.198 0.00 0.00 +0.030 A ATOM 34 C LIG 1 10.843 1.952 0.549 0.00 0.00 +0.002 A ATOM 35 C LIG 1 10.915 1.133 1.679 0.00 0.00 +0.002 A ATOM 36 C LIG 1 9.816 0.376 2.101 0.00 0.00 +0.028 A ATOM 37 N LIG 1 7.296 1.202 -0.338 0.00 0.00 -0.228 NA ENDBRANCH 25 28 BRANCH 24 38 ATOM 38 C LIG 1 5.596 -2.510 0.665 0.00 0.00 +0.418 C ATOM 39 F LIG 1 6.633 -2.671 -0.200 0.00 0.00 -0.166 F ATOM 40 F LIG 1 4.941 -3.706 0.679 0.00 0.00 -0.166 F ATOM 41 F LIG 1 6.157 -2.394 1.905 0.00 0.00 -0.166 F ENDBRANCH 24 38 ENDBRANCH 1 22 TORSDOF 6