REMARK Name = BDB024028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.716 -1.842 0.367 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.609 -1.179 0.917 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.458 -0.917 0.155 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -0.433 -1.355 -1.165 0.00 0.00 +0.134 A ATOM 5 F LIG 1 0.646 -1.134 -1.924 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.512 -2.030 -1.727 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -2.651 -2.277 -0.963 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 0.894 -0.060 0.896 0.00 0.00 +0.122 P ATOM 9 C LIG 1 1.509 1.247 -0.169 0.00 0.00 +0.093 C ATOM 10 C LIG 1 3.001 1.414 0.049 0.00 0.00 +0.114 C ATOM 11 N LIG 1 3.716 0.234 -0.457 0.00 0.00 -0.314 N ATOM 12 C LIG 1 3.237 -1.117 -0.137 0.00 0.00 +0.114 C ATOM 13 C LIG 1 2.317 -1.143 1.068 0.00 0.00 +0.093 C ATOM 14 O LIG 1 0.560 0.521 2.253 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 5.095 0.405 -0.608 0.00 0.00 +0.122 A ATOM 16 N LIG 1 5.680 1.496 -0.069 0.00 0.00 -0.228 NA ATOM 17 C LIG 1 7.023 1.691 -0.218 0.00 0.00 +0.146 A ATOM 18 C LIG 1 7.824 0.791 -0.915 0.00 0.00 +0.032 A ATOM 19 C LIG 1 7.227 -0.322 -1.487 0.00 0.00 +0.005 A ATOM 20 C LIG 1 5.855 -0.511 -1.336 0.00 0.00 +0.044 A BRANCH 17 21 ATOM 21 C LIG 1 7.670 2.912 0.419 0.00 0.00 +0.434 C ATOM 22 F LIG 1 8.561 3.527 -0.416 0.00 0.00 -0.164 F ATOM 23 F LIG 1 8.385 2.598 1.539 0.00 0.00 -0.164 F ATOM 24 F LIG 1 6.792 3.884 0.796 0.00 0.00 -0.164 F ENDBRANCH 17 21 ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 25 ATOM 25 C LIG 1 -3.945 -2.108 1.208 0.00 0.00 +0.093 C BRANCH 25 33 ATOM 26 O LIG 1 -8.610 -0.322 -1.179 0.00 0.00 -0.266 OA ATOM 27 C LIG 1 -7.570 -0.659 -0.624 0.00 0.00 +0.272 A ATOM 28 C LIG 1 -6.727 0.316 0.086 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -5.553 -0.118 0.700 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -4.755 0.808 1.382 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -5.135 2.154 1.439 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.309 2.581 0.821 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.224 -1.563 0.586 0.00 0.00 +0.074 A ATOM 34 N LIG 1 -5.982 -2.413 -0.045 0.00 0.00 -0.175 NA ATOM 35 C LIG 1 -7.108 1.663 0.143 0.00 0.00 +0.014 A ATOM 36 N LIG 1 -7.124 -1.957 -0.625 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -7.695 -2.643 -1.108 0.00 0.00 +0.192 HD ENDBRANCH 25 33 ENDBRANCH 1 25 TORSDOF 5