REMARK Name = BDB048524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.937 -0.877 0.037 0.00 0.00 +0.055 A ATOM 2 C LIG 1 -1.638 0.024 0.877 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -3.032 -0.068 0.930 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -3.711 -1.032 0.176 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -3.022 -1.931 -0.654 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -1.622 -1.836 -0.712 0.00 0.00 +0.033 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -0.892 0.999 1.588 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -1.314 1.222 2.987 0.00 0.00 +0.120 C ATOM 9 C LIG 1 -0.342 2.211 3.678 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -0.156 3.505 2.981 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -1.329 4.365 3.116 0.00 0.00 +0.105 C ATOM 12 C LIG 1 0.166 3.249 1.556 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -0.786 2.270 0.823 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 5 14 ATOM 14 C LIG 1 -3.747 -2.942 -1.446 0.00 0.00 -0.018 A ATOM 15 C LIG 1 -4.705 -3.781 -0.848 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -5.395 -4.742 -1.595 0.00 0.00 +0.033 A ATOM 17 C LIG 1 -5.128 -4.874 -2.962 0.00 0.00 +0.126 A ATOM 18 C LIG 1 -4.179 -4.055 -3.581 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -3.496 -3.098 -2.822 0.00 0.00 +0.011 A BRANCH 17 20 ATOM 20 N LIG 1 -5.851 -5.879 -3.752 0.00 0.00 +0.056 N ATOM 21 O LIG 1 -5.594 -5.957 -4.962 0.00 0.00 -0.126 OA ATOM 22 O LIG 1 -6.679 -6.588 -3.163 0.00 0.00 -0.126 OA ENDBRANCH 17 20 ENDBRANCH 5 14 BRANCH 1 24 ATOM 23 C LIG 1 1.394 -1.352 -0.765 0.00 0.00 +0.250 C ATOM 24 N LIG 1 0.464 -0.727 0.031 0.00 0.00 -0.280 N ATOM 25 H LIG 1 0.765 -0.011 0.690 0.00 0.00 +0.155 HD ATOM 26 O LIG 1 1.199 -2.216 -1.608 0.00 0.00 -0.270 OA BRANCH 23 34 ATOM 27 C LIG 1 4.220 1.113 -0.590 0.00 0.00 +0.070 A ATOM 28 C LIG 1 5.294 0.265 -0.286 0.00 0.00 +0.149 A ATOM 29 F LIG 1 6.513 0.814 -0.140 0.00 0.00 -0.203 F ATOM 30 C LIG 1 5.138 -1.118 -0.118 0.00 0.00 +0.006 A ATOM 31 C LIG 1 6.334 -1.961 0.224 0.00 0.00 +0.048 C ATOM 32 C LIG 1 3.849 -1.667 -0.257 0.00 0.00 +0.059 A ATOM 33 CL LIG 1 3.609 -3.360 0.030 0.00 0.00 -0.082 Cl ATOM 34 C LIG 1 2.769 -0.829 -0.577 0.00 0.00 +0.057 A ATOM 35 C LIG 1 2.958 0.554 -0.752 0.00 0.00 +0.040 A BRANCH 27 38 ATOM 36 C LIG 1 4.249 4.870 -0.994 0.00 0.00 +0.109 C ATOM 37 C LIG 1 3.589 3.518 -0.897 0.00 0.00 +0.214 C ATOM 38 N LIG 1 4.497 2.492 -0.715 0.00 0.00 -0.283 N ATOM 39 H LIG 1 5.474 2.745 -0.599 0.00 0.00 +0.155 HD ATOM 40 O LIG 1 2.368 3.408 -0.944 0.00 0.00 -0.276 OA ENDBRANCH 27 38 ENDBRANCH 23 34 ENDBRANCH 1 24 TORSDOF 6