REMARK Name = BDB024011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.486 -0.910 1.078 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.181 -0.407 1.188 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -0.117 -0.978 0.472 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -0.382 -2.075 -0.340 0.00 0.00 +0.134 A ATOM 5 F LIG 1 0.612 -2.650 -1.026 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.665 -2.600 -0.455 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -2.716 -2.020 0.254 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 1.506 -0.306 0.622 0.00 0.00 +0.122 P ATOM 9 C LIG 1 2.166 0.087 -1.009 0.00 0.00 +0.093 C ATOM 10 C LIG 1 3.672 0.254 -0.906 0.00 0.00 +0.114 C ATOM 11 N LIG 1 4.344 -0.987 -0.483 0.00 0.00 -0.313 N ATOM 12 C LIG 1 3.542 -2.070 0.109 0.00 0.00 +0.114 C ATOM 13 C LIG 1 2.656 -1.554 1.228 0.00 0.00 +0.093 C ATOM 14 O LIG 1 1.576 0.930 1.491 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 5.635 -0.833 0.052 0.00 0.00 +0.144 A ATOM 16 N LIG 1 6.042 -1.591 1.097 0.00 0.00 -0.133 NA ATOM 17 N LIG 1 7.306 -1.470 1.641 0.00 0.00 -0.136 NA ATOM 18 C LIG 1 8.162 -0.585 1.111 0.00 0.00 +0.152 A ATOM 19 CL LIG 1 9.704 -0.505 1.845 0.00 0.00 -0.060 Cl ATOM 20 C LIG 1 7.824 0.208 0.040 0.00 0.00 +0.045 A ATOM 21 C LIG 1 6.542 0.074 -0.496 0.00 0.00 +0.048 A ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 22 ATOM 22 C LIG 1 -3.621 -0.283 1.859 0.00 0.00 +0.093 C BRANCH 22 30 ATOM 23 O LIG 1 -7.846 1.229 -1.383 0.00 0.00 -0.266 OA ATOM 24 C LIG 1 -6.886 0.954 -0.673 0.00 0.00 +0.272 A ATOM 25 C LIG 1 -5.730 1.857 -0.558 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -4.662 1.497 0.261 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -3.567 2.362 0.377 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -3.550 3.571 -0.328 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -4.621 3.923 -1.147 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.761 0.194 0.969 0.00 0.00 +0.074 A ATOM 31 N LIG 1 -5.793 -0.593 0.859 0.00 0.00 -0.175 NA ATOM 32 C LIG 1 -5.715 3.067 -1.264 0.00 0.00 +0.014 A ATOM 33 N LIG 1 -6.821 -0.205 0.059 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -7.611 -0.840 -0.006 0.00 0.00 +0.192 HD ENDBRANCH 22 30 ENDBRANCH 1 22 TORSDOF 4