REMARK Name = BDB009513 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.545 -0.687 0.105 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.032 -1.873 0.628 0.00 0.00 +0.135 A ATOM 3 F LIG 1 1.112 -1.881 1.330 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.698 -3.078 0.425 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.896 -3.097 -0.293 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.441 -1.908 -0.807 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.761 -0.700 -0.593 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 4.277 0.910 0.142 0.00 0.00 +0.076 C ATOM 9 C LIG 1 3.501 2.196 -0.164 0.00 0.00 +0.041 C ATOM 10 C LIG 1 2.058 2.073 0.313 0.00 0.00 +0.110 C ATOM 11 N LIG 1 1.441 0.798 -0.043 0.00 0.00 -0.297 N ATOM 12 C LIG 1 0.118 0.606 0.352 0.00 0.00 +0.249 C ATOM 13 O LIG 1 -0.552 1.484 0.894 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.183 -0.052 -0.970 0.00 0.00 +0.110 C ATOM 15 C LIG 1 3.592 -0.334 -0.455 0.00 0.00 +0.041 C BRANCH 8 18 ATOM 16 O LIG 1 6.399 2.256 1.459 0.00 0.00 -0.267 OA ATOM 17 C LIG 1 6.612 1.743 0.362 0.00 0.00 +0.280 C ATOM 18 N LIG 1 5.656 1.011 -0.317 0.00 0.00 -0.306 N ATOM 19 H LIG 1 5.900 0.736 -1.262 0.00 0.00 +0.149 HD BRANCH 17 20 ATOM 20 C LIG 1 7.870 1.856 -0.350 0.00 0.00 +0.189 A ATOM 21 O LIG 1 8.018 1.246 -1.570 0.00 0.00 -0.458 OA ATOM 22 C LIG 1 9.272 1.525 -2.010 0.00 0.00 +0.196 A ATOM 23 C LIG 1 9.943 2.300 -1.092 0.00 0.00 +0.042 A ATOM 24 C LIG 1 9.043 2.510 -0.019 0.00 0.00 +0.054 A ENDBRANCH 17 20 ENDBRANCH 8 18 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 -3.759 -1.936 -1.549 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -4.947 -2.157 -0.620 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.544 -0.981 0.113 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -5.098 0.321 -0.089 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -4.659 0.501 -0.986 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -5.824 1.460 0.462 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -6.348 1.104 1.852 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -7.177 -0.189 1.816 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -6.531 -1.263 0.981 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -7.034 -2.649 1.123 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -7.973 -2.923 1.865 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.399 -3.602 0.367 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -6.743 -4.556 0.436 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -5.368 -3.385 -0.494 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 5