REMARK Name = BDB019624 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.117 0.063 -1.275 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.118 1.191 -0.445 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.087 1.720 0.041 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.296 1.110 -0.334 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.314 -0.006 -1.185 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.097 -0.527 -1.646 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.084 2.899 0.913 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.069 2.813 2.316 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -1.062 1.485 3.022 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -1.058 3.905 3.124 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -1.067 5.116 2.533 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -1.056 6.195 3.328 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -1.083 5.306 1.165 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -1.091 4.182 0.347 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.494 -0.371 -1.005 0.00 0.00 -0.303 N ATOM 16 H LIG 1 2.321 -0.208 -0.022 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.380 -0.519 -1.804 0.00 0.00 +0.245 C ATOM 18 O LIG 1 1.377 -1.112 -2.876 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.744 -1.066 -1.314 0.00 0.00 +0.119 C ATOM 20 C LIG 1 4.413 -0.535 -2.586 0.00 0.00 +0.034 C BRANCH 19 27 ATOM 21 C LIG 1 6.746 1.563 1.803 0.00 0.00 +0.045 C ATOM 22 C LIG 1 6.115 0.263 1.394 0.00 0.00 -0.029 A ATOM 23 C LIG 1 6.333 -0.922 2.100 0.00 0.00 +0.062 A ATOM 24 CL LIG 1 7.343 -0.994 3.493 0.00 0.00 -0.082 Cl ATOM 25 C LIG 1 5.704 -2.078 1.659 0.00 0.00 +0.131 A ATOM 26 N LIG 1 4.887 -2.136 0.579 0.00 0.00 -0.257 NA ATOM 27 C LIG 1 4.689 -0.991 -0.118 0.00 0.00 +0.062 A ATOM 28 C LIG 1 5.275 0.219 0.271 0.00 0.00 +0.030 A ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 29 ATOM 29 C LIG 1 -3.617 -0.666 -1.561 0.00 0.00 +0.138 C BRANCH 29 30 ATOM 30 N LIG 1 -3.918 -1.708 -0.610 0.00 0.00 -0.329 N ATOM 31 H LIG 1 -3.656 -1.508 0.351 0.00 0.00 +0.147 HD BRANCH 30 32 ATOM 32 C LIG 1 -5.026 -2.499 -0.677 0.00 0.00 +0.090 C ATOM 33 C LIG 1 -5.747 -2.781 -1.964 0.00 0.00 +0.073 C ATOM 34 C LIG 1 -6.513 -4.014 -1.552 0.00 0.00 +0.031 C ATOM 35 C LIG 1 -6.718 -3.789 -0.066 0.00 0.00 +0.143 C ATOM 36 N LIG 1 -5.534 -3.037 0.391 0.00 0.00 -0.273 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 7