REMARK Name = BDB005143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.068 2.151 -1.290 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -1.369 3.482 -1.983 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 2.326 0.382 -1.448 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.175 1.017 -0.972 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.182 1.486 -1.853 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.356 1.286 -3.231 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.503 0.661 -3.715 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.484 0.216 -2.829 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 3.373 -0.147 0.764 0.00 0.00 +0.248 C ATOM 10 N LIG 1 3.360 -0.102 -0.619 0.00 0.00 -0.281 N ATOM 11 H LIG 1 4.139 -0.532 -1.099 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.462 0.161 1.521 0.00 0.00 -0.270 OA BRANCH 9 17 ATOM 13 C LIG 1 6.972 -1.685 2.538 0.00 0.00 +0.155 A ATOM 14 C LIG 1 5.710 -1.986 3.063 0.00 0.00 +0.165 A ATOM 15 F LIG 1 5.602 -2.777 4.141 0.00 0.00 -0.202 F ATOM 16 C LIG 1 4.544 -1.484 2.492 0.00 0.00 +0.055 A ATOM 17 C LIG 1 4.630 -0.673 1.359 0.00 0.00 +0.040 A ATOM 18 C LIG 1 5.887 -0.349 0.828 0.00 0.00 +0.017 A ATOM 19 C LIG 1 7.053 -0.857 1.416 0.00 0.00 +0.049 A BRANCH 13 21 ATOM 20 C LIG 1 9.337 -1.914 2.727 0.00 0.00 +0.277 C ATOM 21 O LIG 1 8.035 -2.242 3.194 0.00 0.00 -0.492 OA ENDBRANCH 13 21 ENDBRANCH 9 17 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 N LIG 1 -2.186 1.227 -1.444 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -1.896 0.286 -1.692 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.325 1.299 -0.673 0.00 0.00 +0.126 C ATOM 25 C LIG 1 -4.284 0.167 -0.652 0.00 0.00 +0.019 C ATOM 26 C LIG 1 -4.968 0.074 0.677 0.00 0.00 +0.175 C ATOM 27 C LIG 1 -6.054 -0.971 0.672 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -6.343 -1.751 -0.391 0.00 0.00 +0.007 C ATOM 29 C LIG 1 -5.618 -1.650 -1.704 0.00 0.00 +0.127 C ATOM 30 CL LIG 1 -6.811 -1.281 -2.978 0.00 0.00 -0.113 Cl ATOM 31 N LIG 1 -5.535 1.380 1.008 0.00 0.00 -0.259 NA ATOM 32 C LIG 1 -4.790 2.390 0.715 0.00 0.00 +0.218 C ATOM 33 C LIG 1 -4.548 -0.596 -1.726 0.00 0.00 +0.005 C ATOM 34 N LIG 1 -3.589 2.343 0.057 0.00 0.00 -0.221 NA BRANCH 27 35 ATOM 35 C LIG 1 -6.732 -1.228 1.961 0.00 0.00 +0.240 C ATOM 36 O LIG 1 -6.119 -1.400 3.005 0.00 0.00 -0.271 OA ATOM 37 N LIG 1 -8.092 -1.246 1.899 0.00 0.00 -0.326 N ATOM 38 H LIG 1 -8.577 -1.259 2.786 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -8.570 -0.842 1.105 0.00 0.00 +0.145 HD ENDBRANCH 27 35 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 7