REMARK Name = BDB009471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.218 -0.070 -1.176 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.072 -0.600 -2.452 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.786 -0.060 -3.328 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.804 -1.720 -2.829 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.701 -2.300 -1.927 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.882 -1.754 -0.643 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.119 -0.637 -0.268 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 6.939 1.753 -0.501 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 6.255 0.849 -0.015 0.00 0.00 +0.266 C ATOM 10 N LIG 1 4.960 0.591 -0.499 0.00 0.00 -0.295 N ATOM 11 C LIG 1 4.004 -0.304 0.176 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.554 -0.302 -0.351 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.846 0.991 -0.352 0.00 0.00 -0.296 N ATOM 14 C LIG 1 0.528 1.134 -0.790 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.075 2.201 -0.847 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.594 2.204 -0.026 0.00 0.00 +0.109 C ATOM 17 C LIG 1 3.603 2.589 -1.104 0.00 0.00 +0.038 C ATOM 18 C LIG 1 4.466 1.427 -1.592 0.00 0.00 +0.110 C BRANCH 9 19 ATOM 19 C LIG 1 6.812 0.036 1.091 0.00 0.00 +0.133 A ATOM 20 N LIG 1 6.198 -1.091 1.645 0.00 0.00 -0.243 NA ATOM 21 C LIG 1 6.949 -1.596 2.598 0.00 0.00 +0.156 A ATOM 22 S LIG 1 8.424 -0.785 2.905 0.00 0.00 -0.083 S ATOM 23 C LIG 1 8.040 0.332 1.667 0.00 0.00 +0.079 A ENDBRANCH 9 19 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 -2.852 -2.410 0.317 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 -3.643 -1.435 1.179 0.00 0.00 +0.087 A ATOM 26 C LIG 1 -4.775 -0.664 0.556 0.00 0.00 +0.059 A ATOM 27 N LIG 1 -5.069 -0.766 -0.801 0.00 0.00 -0.342 N ATOM 28 H LIG 1 -4.256 -0.975 -1.378 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 -5.968 0.203 -1.424 0.00 0.00 +0.102 C ATOM 30 C LIG 1 -7.142 0.478 -0.489 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -6.654 0.929 0.894 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -5.482 0.122 1.382 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -5.108 0.239 2.808 0.00 0.00 +0.270 A ATOM 34 O LIG 1 -5.735 0.953 3.585 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -4.015 -0.485 3.205 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -3.746 -0.417 4.181 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -3.288 -1.332 2.426 0.00 0.00 -0.174 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4