REMARK Name = BDB003461 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.686 2.792 -0.386 0.00 0.00 -0.260 N ATOM 2 C LIG 1 2.651 1.921 -0.824 0.00 0.00 +0.108 A ATOM 3 C LIG 1 3.163 2.485 -1.989 0.00 0.00 +0.041 A ATOM 4 C LIG 1 4.144 1.797 -2.704 0.00 0.00 +0.123 A ATOM 5 N LIG 1 4.582 0.585 -2.271 0.00 0.00 -0.251 NA ATOM 6 C LIG 1 4.072 0.048 -1.127 0.00 0.00 +0.115 A ATOM 7 C LIG 1 2.478 3.710 -2.118 0.00 0.00 +0.144 A ATOM 8 C LIG 1 3.111 0.697 -0.352 0.00 0.00 +0.175 A ATOM 9 F LIG 1 2.642 0.164 0.785 0.00 0.00 -0.201 F ATOM 10 N LIG 1 1.598 3.912 -1.135 0.00 0.00 -0.178 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 4.587 -1.275 -0.764 0.00 0.00 +0.086 A ATOM 12 C LIG 1 5.943 -1.517 -0.533 0.00 0.00 +0.060 A ATOM 13 N LIG 1 6.394 -2.757 -0.204 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 5.495 -3.739 -0.098 0.00 0.00 +0.225 A ATOM 15 N LIG 1 4.178 -3.615 -0.277 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 3.755 -2.385 -0.620 0.00 0.00 +0.232 A BRANCH 12 17 ATOM 17 C LIG 1 6.987 -0.417 -0.622 0.00 0.00 +0.039 C ATOM 18 C LIG 1 8.140 -0.374 0.357 0.00 0.00 +0.010 C ATOM 19 C LIG 1 7.051 0.652 0.447 0.00 0.00 +0.010 C ENDBRANCH 12 17 BRANCH 16 20 ATOM 20 O LIG 1 2.403 -2.194 -0.822 0.00 0.00 -0.416 OA BRANCH 20 21 ATOM 21 C LIG 1 1.648 -3.386 -0.752 0.00 0.00 +0.542 C ATOM 22 F LIG 1 1.754 -4.040 -1.935 0.00 0.00 -0.166 F ATOM 23 F LIG 1 0.343 -3.011 -0.644 0.00 0.00 -0.166 F ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 6 11 BRANCH 1 24 ATOM 24 C LIG 1 0.812 2.637 0.764 0.00 0.00 +0.151 C BRANCH 24 28 ATOM 25 C LIG 1 -2.962 0.882 0.135 0.00 0.00 +0.029 C ATOM 26 C LIG 1 -2.837 2.246 -0.617 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -1.441 2.861 -0.448 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -0.567 1.991 0.480 0.00 0.00 -0.010 C ATOM 29 C LIG 1 -0.455 0.587 -0.157 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -1.324 1.837 1.824 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -1.840 -0.018 -0.429 0.00 0.00 +0.015 C ATOM 32 C LIG 1 -2.704 1.195 1.625 0.00 0.00 +0.015 C BRANCH 25 34 ATOM 33 N LIG 1 -4.848 -0.908 0.367 0.00 0.00 -0.331 N ATOM 34 C LIG 1 -4.348 0.298 -0.096 0.00 0.00 +0.117 A ATOM 35 N LIG 1 -5.279 0.920 -0.801 0.00 0.00 -0.228 NA ATOM 36 C LIG 1 -6.402 0.116 -0.822 0.00 0.00 +0.162 A ATOM 37 C LIG 1 -6.138 -1.026 -0.097 0.00 0.00 +0.120 A BRANCH 36 38 ATOM 38 C LIG 1 -7.660 0.504 -1.542 0.00 0.00 +0.436 C ATOM 39 F LIG 1 -7.459 0.710 -2.870 0.00 0.00 -0.164 F ATOM 40 F LIG 1 -8.215 1.640 -1.041 0.00 0.00 -0.164 F ATOM 41 F LIG 1 -8.617 -0.463 -1.445 0.00 0.00 -0.164 F ENDBRANCH 36 38 BRANCH 33 43 ATOM 42 C LIG 1 -4.945 -2.137 2.516 0.00 0.00 +0.030 C ATOM 43 C LIG 1 -4.202 -1.923 1.195 0.00 0.00 +0.082 C ATOM 44 C LIG 1 -4.026 -3.240 0.437 0.00 0.00 +0.030 C ENDBRANCH 33 43 ENDBRANCH 25 34 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 9