REMARK Name = BDB006503 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.475 2.962 -1.130 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.090 1.588 -1.249 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.433 0.397 -0.657 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.409 -0.659 -1.012 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.178 -1.974 -0.569 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.937 -2.215 0.239 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.805 -1.183 0.593 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.416 -0.128 -1.802 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.553 0.129 0.162 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.226 1.232 -1.962 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.146 2.093 -2.760 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.978 -1.507 1.452 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.083 -0.693 1.301 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.134 -0.156 0.446 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.942 -2.472 2.206 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.348 -0.999 1.965 0.00 0.00 +0.102 C ATOM 17 C LIG 1 -5.264 -0.797 3.482 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.467 -0.133 1.387 0.00 0.00 -0.009 A ATOM 19 C LIG 1 -7.685 -0.666 0.908 0.00 0.00 +0.058 A ATOM 20 CL LIG 1 -7.971 -2.376 0.966 0.00 0.00 -0.083 Cl ATOM 21 C LIG 1 -8.684 0.181 0.389 0.00 0.00 +0.073 A ATOM 22 C LIG 1 -8.459 1.570 0.361 0.00 0.00 +0.014 A ATOM 23 C LIG 1 -7.271 2.108 0.842 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -6.288 1.266 1.352 0.00 0.00 +0.007 A BRANCH 21 25 ATOM 25 C LIG 1 -9.991 -0.362 -0.135 0.00 0.00 +0.419 C ATOM 26 F LIG 1 -10.716 -1.020 0.811 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -10.823 0.615 -0.605 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -9.834 -1.225 -1.176 0.00 0.00 -0.166 F ENDBRANCH 21 25 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 2.492 -0.910 -2.415 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 3.825 -0.723 -1.731 0.00 0.00 -0.028 A ATOM 31 C LIG 1 4.964 -0.423 -2.491 0.00 0.00 +0.006 A ATOM 32 C LIG 1 6.213 -0.271 -1.877 0.00 0.00 +0.009 A ATOM 33 C LIG 1 6.363 -0.422 -0.491 0.00 0.00 -0.018 A ATOM 34 C LIG 1 5.221 -0.736 0.262 0.00 0.00 +0.009 A ATOM 35 C LIG 1 3.972 -0.890 -0.348 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 7.677 -0.258 0.154 0.00 0.00 -0.018 A ATOM 37 C LIG 1 7.848 0.628 1.231 0.00 0.00 +0.008 A ATOM 38 C LIG 1 9.095 0.786 1.843 0.00 0.00 +0.001 A ATOM 39 C LIG 1 10.192 0.058 1.389 0.00 0.00 +0.000 A ATOM 40 C LIG 1 10.044 -0.826 0.324 0.00 0.00 +0.001 A ATOM 41 C LIG 1 8.797 -0.982 -0.288 0.00 0.00 +0.008 A ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 7