REMARK Name = BDB008059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.074 -0.469 -0.030 0.00 0.00 +0.195 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.473 -0.667 -0.472 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -1.393 -0.271 0.324 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -1.948 0.329 1.513 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -3.337 0.290 1.392 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -4.208 0.797 2.365 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -3.640 1.360 3.509 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -2.262 1.407 3.678 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 -4.669 1.999 4.733 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -1.409 0.893 2.692 0.00 0.00 +0.012 A ATOM 11 N LIG 1 -3.622 -0.323 0.201 0.00 0.00 -0.349 N ATOM 12 H LIG 1 -4.554 -0.508 -0.148 0.00 0.00 +0.166 HD BRANCH 2 13 ATOM 13 C LIG 1 -2.481 -1.323 -1.762 0.00 0.00 +0.356 C ATOM 14 O LIG 1 -1.496 -1.580 -2.440 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 O LIG 1 -3.768 -1.599 -2.121 0.00 0.00 -0.460 OA BRANCH 15 17 ATOM 16 C LIG 1 -5.365 -2.516 -3.642 0.00 0.00 +0.048 C ATOM 17 C LIG 1 -3.892 -2.264 -3.385 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 2 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 1.020 0.600 0.578 0.00 0.00 +0.239 C ATOM 19 N LIG 1 0.859 1.867 0.041 0.00 0.00 -0.309 N ATOM 20 H LIG 1 0.151 1.986 -0.674 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 1.840 0.341 1.456 0.00 0.00 -0.273 OA BRANCH 19 22 ATOM 22 C LIG 1 1.661 3.047 0.398 0.00 0.00 +0.026 C ATOM 23 C LIG 1 3.145 2.820 0.072 0.00 0.00 +0.031 C ATOM 24 C LIG 1 1.492 3.401 1.884 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.156 4.236 -0.441 0.00 0.00 +0.031 C ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 26 ATOM 26 N LIG 1 0.494 -1.848 0.263 0.00 0.00 -0.284 N ATOM 27 C LIG 1 0.342 -2.401 1.519 0.00 0.00 +0.329 C ATOM 28 O LIG 1 0.691 -3.527 1.850 0.00 0.00 -0.279 OA BRANCH 26 29 ATOM 29 C LIG 1 1.300 -2.561 -0.726 0.00 0.00 +0.149 C BRANCH 29 30 ATOM 30 C LIG 1 2.751 -2.164 -0.709 0.00 0.00 +0.046 A ATOM 31 C LIG 1 3.695 -2.888 0.026 0.00 0.00 +0.166 A ATOM 32 F LIG 1 3.328 -3.999 0.678 0.00 0.00 -0.202 F ATOM 33 C LIG 1 5.032 -2.491 0.070 0.00 0.00 +0.162 A ATOM 34 F LIG 1 5.922 -3.207 0.772 0.00 0.00 -0.202 F ATOM 35 C LIG 1 5.465 -1.366 -0.619 0.00 0.00 +0.082 A ATOM 36 C LIG 1 4.540 -0.648 -1.362 0.00 0.00 +0.162 A ATOM 37 F LIG 1 4.941 0.435 -2.041 0.00 0.00 -0.202 F ATOM 38 C LIG 1 3.202 -1.043 -1.411 0.00 0.00 +0.166 A ATOM 39 F LIG 1 2.339 -0.324 -2.144 0.00 0.00 -0.202 F ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 9