REMARK Name = BDB035993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.671 0.111 -1.177 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.140 1.393 -1.461 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.786 1.704 -1.235 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.978 0.694 -0.722 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.476 0.715 -0.377 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.730 -0.633 0.118 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.429 -1.414 0.082 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.628 -2.574 0.396 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.502 -0.564 -0.448 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.830 -0.886 -0.664 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.015 -1.044 0.570 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.105 -0.158 0.535 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.401 -0.529 0.965 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.586 -1.828 1.449 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.517 -2.720 1.497 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.248 -2.332 1.060 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.517 0.511 0.852 0.00 0.00 +0.090 C BRANCH 17 18 ATOM 18 C LIG 1 -5.836 0.867 -0.578 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -6.129 0.010 -1.610 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.195 -1.427 -1.606 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -6.332 0.793 -2.707 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -6.176 2.053 -2.384 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.862 2.101 -1.050 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -6.796 0.149 1.629 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -7.854 1.282 1.804 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -7.235 1.585 3.179 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -6.695 0.144 3.185 0.00 0.00 +0.004 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.228 3.070 -1.530 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.140 3.945 -2.032 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.213 3.022 -2.436 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.707 3.662 -0.420 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.137 -0.182 -1.436 0.00 0.00 +0.119 C BRANCH 32 36 ATOM 33 C LIG 1 9.605 -0.576 -1.374 0.00 0.00 +0.009 C ATOM 34 C LIG 1 8.168 -0.629 -0.857 0.00 0.00 +0.000 C ATOM 35 C LIG 1 7.413 0.663 -1.217 0.00 0.00 +0.088 C ATOM 36 N LIG 1 6.036 0.720 -0.700 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 6.023 0.501 0.756 0.00 0.00 +0.085 C ATOM 38 C LIG 1 6.725 -0.783 1.204 0.00 0.00 +0.016 C ATOM 39 C LIG 1 8.148 -0.856 0.659 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 7