REMARK Name = BDB057930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.600 0.603 0.524 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.778 1.169 1.783 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.084 2.253 2.159 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.687 0.616 2.680 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.445 -0.496 2.306 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.315 -1.051 1.023 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.375 -0.499 0.139 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.566 2.578 -0.235 0.00 0.00 -0.272 OA ATOM 9 C LIG 1 4.968 1.613 0.241 0.00 0.00 +0.253 C ATOM 10 N LIG 1 3.580 1.521 0.193 0.00 0.00 -0.296 N ATOM 11 C LIG 1 2.793 0.446 0.807 0.00 0.00 +0.127 C ATOM 12 C LIG 1 1.329 0.838 1.065 0.00 0.00 +0.127 C ATOM 13 N LIG 1 0.668 1.368 -0.134 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.671 1.184 -0.462 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -1.130 1.453 -1.571 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.521 2.052 -1.109 0.00 0.00 +0.127 C ATOM 17 C LIG 1 2.828 2.573 -0.501 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 5.716 0.443 0.907 0.00 0.00 +0.324 C BRANCH 18 19 ATOM 19 O LIG 1 7.130 0.456 0.783 0.00 0.00 -0.483 OA BRANCH 19 20 ATOM 20 C LIG 1 7.679 -0.031 -0.370 0.00 0.00 +0.121 A ATOM 21 C LIG 1 9.066 -0.203 -0.324 0.00 0.00 +0.046 A ATOM 22 C LIG 1 9.763 -0.695 -1.431 0.00 0.00 +0.018 A ATOM 23 C LIG 1 9.067 -1.011 -2.595 0.00 0.00 +0.014 A ATOM 24 I LIG 1 10.092 -1.742 -4.248 0.00 0.00 -0.044 I ATOM 25 C LIG 1 7.686 -0.834 -2.656 0.00 0.00 +0.018 A ATOM 26 C LIG 1 6.992 -0.341 -1.544 0.00 0.00 +0.046 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 -4.146 -2.244 0.602 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -5.636 -2.067 0.864 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -6.458 -1.220 -0.039 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -7.811 -1.092 0.269 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -8.655 -0.310 -0.530 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -8.139 0.350 -1.643 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.786 0.227 -1.957 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.350 -1.791 1.446 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -9.534 -1.709 1.754 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -7.452 -2.534 2.172 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -7.808 -3.025 2.986 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -5.945 -0.557 -1.160 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -6.127 -2.677 1.904 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 6