REMARK Name = BDB004873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.870 0.892 -1.210 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.370 1.447 -0.501 0.00 0.00 -0.030 C ATOM 3 C LIG 1 1.615 0.706 -0.684 0.00 0.00 +0.024 C ATOM 4 C LIG 1 2.733 0.958 0.023 0.00 0.00 +0.011 C ATOM 5 C LIG 1 2.772 2.086 1.028 0.00 0.00 +0.055 C ATOM 6 C LIG 1 1.624 3.100 0.900 0.00 0.00 +0.033 C ATOM 7 C LIG 1 0.392 2.582 0.222 0.00 0.00 -0.021 C BRANCH 4 8 ATOM 8 N LIG 1 3.849 0.162 -0.184 0.00 0.00 -0.285 N ATOM 9 H LIG 1 3.757 -0.542 -0.909 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 5.048 0.181 0.520 0.00 0.00 +0.254 C ATOM 11 O LIG 1 5.277 0.926 1.466 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 6.097 -0.789 0.082 0.00 0.00 +0.107 A ATOM 13 C LIG 1 5.883 -1.726 -0.934 0.00 0.00 +0.138 A ATOM 14 F LIG 1 4.704 -1.795 -1.574 0.00 0.00 -0.205 F ATOM 15 C LIG 1 6.877 -2.627 -1.326 0.00 0.00 +0.039 A ATOM 16 C LIG 1 8.119 -2.606 -0.698 0.00 0.00 +0.006 A ATOM 17 C LIG 1 8.355 -1.682 0.316 0.00 0.00 +0.039 A ATOM 18 C LIG 1 7.354 -0.785 0.699 0.00 0.00 +0.138 A ATOM 19 F LIG 1 7.657 0.079 1.677 0.00 0.00 -0.205 F ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -1.313 -0.354 -0.558 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -0.534 -1.004 -0.496 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.929 -0.329 0.709 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -2.352 -1.546 1.290 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -2.940 -1.470 2.568 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -3.350 -2.678 3.171 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -3.189 -3.916 2.519 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -2.629 -3.978 1.254 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -3.097 -0.274 3.176 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -2.688 0.818 2.522 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -2.216 -2.802 0.644 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -2.118 0.844 1.321 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -3.977 -2.745 4.529 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -4.256 -3.818 5.056 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -4.242 -1.579 5.183 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -3.973 -0.685 4.781 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -4.632 -1.615 6.113 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -2.010 1.889 -1.522 0.00 0.00 +0.042 C BRANCH 37 38 ATOM 38 C LIG 1 -3.127 1.248 -2.359 0.00 0.00 +0.086 C BRANCH 38 40 ATOM 39 C LIG 1 -3.744 3.138 -3.773 0.00 0.00 +0.104 C ATOM 40 N LIG 1 -4.187 2.208 -2.732 0.00 0.00 -0.308 NA ATOM 41 C LIG 1 -5.376 1.485 -3.192 0.00 0.00 +0.104 C ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9