REMARK Name = BDB038365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.158 -0.783 -1.258 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.597 0.330 -0.870 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.266 1.470 -0.607 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.004 -0.091 -0.858 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.125 0.645 -0.519 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.377 0.016 -0.596 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.452 -1.336 -1.010 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.299 -2.072 -1.350 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -2.074 -1.417 -1.264 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.699 -1.921 -1.560 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.803 0.144 -1.053 0.00 0.00 -0.015 A ATOM 12 C LIG 1 2.400 0.199 -0.933 0.00 0.00 +0.032 A ATOM 13 C LIG 1 1.574 -0.846 -1.375 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.192 -1.974 -1.937 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.579 -2.041 -2.083 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.378 -0.985 -1.652 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 4.736 1.649 0.776 0.00 0.00 +0.027 A ATOM 18 C LIG 1 4.651 1.255 -0.581 0.00 0.00 -0.007 A ATOM 19 C LIG 1 5.396 1.981 -1.534 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.191 3.068 -1.165 0.00 0.00 +0.001 A ATOM 21 C LIG 1 6.252 3.461 0.165 0.00 0.00 +0.001 A ATOM 22 C LIG 1 5.526 2.760 1.127 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 5.138 -1.309 1.781 0.00 0.00 +0.152 C ATOM 24 N LIG 1 4.204 -0.332 2.268 0.00 0.00 -0.317 N ATOM 25 C LIG 1 4.028 0.968 1.862 0.00 0.00 +0.164 A ATOM 26 N LIG 1 3.160 1.534 2.685 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 2.728 0.591 3.588 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 3.361 -0.525 3.321 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -3.378 -3.510 -1.787 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.685 -4.340 -0.959 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.849 -3.700 -3.027 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -4.646 -4.000 -1.839 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.633 0.783 -0.231 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -5.670 1.121 1.199 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 -6.908 1.864 1.529 0.00 0.00 +0.123 C ATOM 36 C LIG 1 -7.580 0.554 1.982 0.00 0.00 +0.194 C ATOM 37 F LIG 1 -8.251 0.590 3.157 0.00 0.00 -0.243 F ATOM 38 C LIG 1 -6.149 -0.016 2.020 0.00 0.00 +0.123 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 6