REMARK Name = BDB025842 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.275 -0.603 -0.430 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.575 0.582 -0.105 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.798 0.538 0.171 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.513 -0.675 0.147 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.793 -1.836 -0.174 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.412 -3.026 -0.205 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.571 -1.810 -0.460 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.983 -3.437 0.253 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.221 -2.513 -0.706 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.991 -2.034 -1.882 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.440 -2.020 -1.752 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.417 -0.808 -2.500 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.156 0.503 -2.177 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.900 -0.645 -2.193 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.657 -0.519 -0.734 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.528 -1.381 0.106 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.952 -0.714 0.447 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.545 0.024 1.452 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.864 0.008 1.749 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.663 -0.780 1.014 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.190 -1.536 0.011 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.862 -1.488 -0.245 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.018 -0.795 1.275 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.495 -0.322 2.578 0.00 0.00 +0.136 C ATOM 25 C LIG 1 8.325 -1.421 3.263 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.460 -1.858 2.499 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.271 -1.740 1.079 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.804 -1.855 0.640 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.351 1.763 -0.073 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.332 1.576 -0.285 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.951 3.046 0.230 0.00 0.00 +0.251 C ATOM 32 O LIG 1 0.193 3.382 0.524 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.000 4.108 0.189 0.00 0.00 +0.075 A ATOM 34 C LIG 1 -3.350 3.841 -0.036 0.00 0.00 +0.170 A ATOM 35 F LIG 1 -3.787 2.588 -0.229 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -4.279 4.879 -0.063 0.00 0.00 +0.159 A ATOM 37 F LIG 1 -5.573 4.609 -0.284 0.00 0.00 -0.202 F ATOM 38 C LIG 1 -3.885 6.198 0.135 0.00 0.00 +0.041 A ATOM 39 C LIG 1 -2.542 6.482 0.365 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -1.605 5.444 0.393 0.00 0.00 +0.016 A ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 5