REMARK Name = BDB017618 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.611 -0.875 -0.104 0.00 0.00 -0.327 N ATOM 2 C LIG 1 1.601 -0.573 0.881 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.575 -1.658 0.928 0.00 0.00 +0.103 C ATOM 4 N LIG 1 0.019 -1.968 -0.401 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 1.219 -2.515 -1.114 0.00 0.00 +0.103 C ATOM 6 C LIG 1 2.187 -1.416 -1.399 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.756 -0.244 0.357 0.00 0.00 +0.072 A ATOM 8 C LIG 1 5.992 0.596 -0.413 0.00 0.00 +0.137 A ATOM 9 F LIG 1 6.544 1.631 -1.063 0.00 0.00 -0.205 F ATOM 10 C LIG 1 4.613 0.378 -0.559 0.00 0.00 +0.062 A ATOM 11 C LIG 1 4.010 -0.683 0.071 0.00 0.00 +0.033 A ATOM 12 C LIG 1 4.806 -1.504 0.835 0.00 0.00 +0.024 A ATOM 13 C LIG 1 6.159 -1.322 1.000 0.00 0.00 +0.018 A BRANCH 7 17 ATOM 14 C LIG 1 9.394 2.320 -0.027 0.00 0.00 +0.128 C ATOM 15 N LIG 1 8.806 1.152 0.261 0.00 0.00 -0.314 N ATOM 16 H LIG 1 10.014 0.632 0.640 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 8.203 -0.044 0.556 0.00 0.00 +0.247 C ATOM 18 O LIG 1 8.796 -1.082 1.018 0.00 0.00 -0.270 OA ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 4 19 ATOM 19 C LIG 1 -0.422 -0.794 -1.095 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 C LIG 1 -1.824 -0.426 -0.805 0.00 0.00 -0.031 A ATOM 21 C LIG 1 -2.280 0.103 0.362 0.00 0.00 +0.031 A ATOM 22 C LIG 1 -3.635 0.435 0.539 0.00 0.00 +0.051 A ATOM 23 C LIG 1 -4.562 0.238 -0.464 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -5.899 0.552 -0.314 0.00 0.00 +0.045 A ATOM 25 N LIG 1 -6.849 0.342 -1.379 0.00 0.00 -0.343 N ATOM 26 H LIG 1 -6.684 -0.417 -2.054 0.00 0.00 +0.146 HD ATOM 27 C LIG 1 -7.979 1.266 -1.361 0.00 0.00 +0.102 C ATOM 28 C LIG 1 -8.636 1.003 0.011 0.00 0.00 +0.023 C ATOM 29 C LIG 1 -7.737 1.440 1.117 0.00 0.00 +0.044 C ATOM 30 C LIG 1 -6.332 1.085 0.890 0.00 0.00 +0.038 A ATOM 31 C LIG 1 -5.379 1.274 1.888 0.00 0.00 +0.254 A ATOM 32 O LIG 1 -5.767 1.756 2.979 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -4.117 -0.295 -1.647 0.00 0.00 +0.012 A ATOM 34 N LIG 1 -4.079 0.954 1.699 0.00 0.00 -0.322 N ATOM 35 H LIG 1 -3.372 1.106 2.474 0.00 0.00 +0.169 HD ATOM 36 C LIG 1 -2.792 -0.616 -1.809 0.00 0.00 +0.005 A ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 4