REMARK Name = BDB038498 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.394 0.732 -0.751 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.317 0.543 -2.152 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.122 0.138 -2.780 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.010 -0.065 -1.967 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.374 -0.492 -2.332 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.078 -0.504 -1.058 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.225 -0.162 -0.003 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.418 -0.098 1.197 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.090 0.123 -0.592 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.256 0.514 0.039 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.462 -0.817 -0.962 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -3.171 -0.670 0.239 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -4.543 -0.973 0.338 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -5.208 -1.452 -0.797 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -4.527 -1.598 -2.002 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.170 -1.277 -2.083 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.253 -0.797 1.615 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -6.145 0.272 1.855 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -6.777 0.384 3.107 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -6.546 -0.555 4.111 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -5.674 -1.613 3.880 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.032 -1.731 2.646 0.00 0.00 +0.009 A BRANCH 18 23 ATOM 23 C LIG 1 -6.424 1.288 0.843 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -7.592 1.393 0.129 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -8.743 0.536 0.208 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -7.448 2.468 -0.693 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -6.268 3.007 -0.504 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -5.622 2.265 0.459 0.00 0.00 -0.129 NA ENDBRANCH 18 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 2.041 -0.068 -4.267 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.223 0.121 -4.914 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.149 0.774 -4.857 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.632 -1.326 -4.592 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 4.696 1.165 -0.103 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 8.660 1.508 1.968 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.617 0.995 0.976 0.00 0.00 +0.000 C ATOM 36 C LIG 1 6.283 0.710 1.689 0.00 0.00 +0.088 C ATOM 37 N LIG 1 5.242 0.152 0.811 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 5.731 -1.057 0.133 0.00 0.00 +0.085 C ATOM 39 C LIG 1 7.040 -0.857 -0.634 0.00 0.00 +0.016 C ATOM 40 C LIG 1 8.123 -0.264 0.263 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6