REMARK Name = BDB058061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.514 1.293 -1.881 0.00 0.00 -0.021 A ATOM 2 C LIG 1 2.372 2.164 -0.791 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.105 2.583 -0.378 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -0.030 2.128 -1.054 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.101 1.295 -2.169 0.00 0.00 +0.013 A ATOM 6 C LIG 1 1.370 0.878 -2.577 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 6.325 -0.658 1.484 0.00 0.00 +0.079 A ATOM 8 C LIG 1 5.939 -0.325 0.198 0.00 0.00 +0.152 A ATOM 9 O LIG 1 4.728 0.205 -0.193 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 4.803 0.375 -1.569 0.00 0.00 +0.176 C ATOM 11 C LIG 1 6.120 -0.075 -2.085 0.00 0.00 +0.231 C ATOM 12 O LIG 1 6.533 -0.085 -3.223 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 3.830 0.855 -2.356 0.00 0.00 +0.058 C ATOM 14 C LIG 1 6.809 -0.513 -0.877 0.00 0.00 +0.068 A ATOM 15 C LIG 1 8.083 -1.029 -0.736 0.00 0.00 +0.015 A ATOM 16 C LIG 1 8.489 -1.368 0.554 0.00 0.00 +0.002 A ATOM 17 C LIG 1 7.621 -1.185 1.650 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 4.194 -0.028 2.515 0.00 0.00 -0.325 N ATOM 19 H LIG 1 3.791 0.192 1.614 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 3.615 0.064 3.340 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 5.465 -0.495 2.685 0.00 0.00 +0.245 C ATOM 22 O LIG 1 5.879 -0.775 3.804 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 -1.362 2.611 -0.624 0.00 0.00 +0.247 C ATOM 24 N LIG 1 -2.375 1.678 -0.396 0.00 0.00 -0.295 N ATOM 25 C LIG 1 -3.675 2.219 0.030 0.00 0.00 +0.127 C ATOM 26 C LIG 1 -4.830 1.228 -0.197 0.00 0.00 +0.125 C ATOM 27 N LIG 1 -4.513 -0.069 0.451 0.00 0.00 -0.312 N ATOM 28 C LIG 1 -3.275 -0.647 -0.125 0.00 0.00 +0.125 C ATOM 29 C LIG 1 -2.095 0.318 0.100 0.00 0.00 +0.127 C ATOM 30 O LIG 1 -1.517 3.824 -0.509 0.00 0.00 -0.270 OA BRANCH 27 31 ATOM 31 C LIG 1 -5.574 -0.986 0.314 0.00 0.00 +0.133 A ATOM 32 C LIG 1 -5.959 -1.763 1.406 0.00 0.00 +0.095 A ATOM 33 C LIG 1 -7.008 -2.681 1.234 0.00 0.00 +0.017 A ATOM 34 C LIG 1 -7.634 -2.799 0.001 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -7.189 -1.990 -1.024 0.00 0.00 +0.113 A ATOM 36 N LIG 1 -6.182 -1.100 -0.891 0.00 0.00 -0.240 NA BRANCH 32 37 ATOM 37 C LIG 1 -5.284 -1.606 2.735 0.00 0.00 +0.421 C ATOM 38 F LIG 1 -3.947 -1.879 2.706 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -5.790 -2.454 3.683 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -5.412 -0.361 3.276 0.00 0.00 -0.166 F ENDBRANCH 32 37 ENDBRANCH 27 31 ENDBRANCH 4 23 TORSDOF 5