REMARK Name = BDB055715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.040 0.855 1.194 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.239 0.465 2.513 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.417 1.065 3.516 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.096 -0.590 2.804 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.776 -1.240 1.770 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.619 -0.826 0.436 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.731 0.223 0.153 0.00 0.00 +0.020 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 4.055 -1.473 0.872 0.00 0.00 +0.084 C ATOM 9 C LIG 1 4.809 -0.635 -0.119 0.00 0.00 -0.025 A ATOM 10 C LIG 1 4.035 0.459 -0.496 0.00 0.00 -0.019 A ATOM 11 C LIG 1 4.534 1.488 -1.275 0.00 0.00 -0.041 A ATOM 12 C LIG 1 3.661 2.697 -1.420 0.00 0.00 +0.054 C ATOM 13 C LIG 1 2.886 2.914 -0.101 0.00 0.00 +0.113 C ATOM 14 N LIG 1 2.086 1.745 0.318 0.00 0.00 -0.290 N ATOM 15 C LIG 1 0.843 1.989 0.896 0.00 0.00 +0.250 C ATOM 16 O LIG 1 0.398 3.112 1.124 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 5.816 1.346 -1.800 0.00 0.00 +0.004 A ATOM 18 C LIG 1 6.582 0.208 -1.483 0.00 0.00 +0.001 A ATOM 19 C LIG 1 2.653 0.409 0.093 0.00 0.00 +0.109 C ATOM 20 C LIG 1 6.089 -0.783 -0.623 0.00 0.00 +0.005 A ATOM 21 C LIG 1 2.955 -0.470 1.321 0.00 0.00 +0.050 C BRANCH 8 22 ATOM 22 N LIG 1 3.501 -2.668 0.247 0.00 0.00 -0.324 NA ATOM 23 H LIG 1 4.271 -3.269 -0.045 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 3.017 -2.416 -0.613 0.00 0.00 +0.119 HD ENDBRANCH 8 22 ENDBRANCH 1 15 BRANCH 6 25 ATOM 25 C LIG 1 -2.357 -1.519 -0.688 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -3.840 -1.732 -0.410 0.00 0.00 +0.074 A ATOM 27 C LIG 1 -4.788 -0.592 -0.505 0.00 0.00 +0.011 A ATOM 28 C LIG 1 -6.128 -0.857 -0.227 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -7.086 0.163 -0.290 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -6.699 1.457 -0.631 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.360 1.729 -0.910 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.531 -2.226 0.134 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -7.698 -2.506 0.383 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -5.526 -3.161 0.173 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -5.787 -4.111 0.419 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -4.405 0.709 -0.850 0.00 0.00 +0.010 A ATOM 37 N LIG 1 -4.211 -2.937 -0.088 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4