REMARK Name = BDB024012 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.113 -1.383 -1.530 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -0.335 -0.762 -2.754 0.00 0.00 +0.134 A ATOM 3 F LIG 1 0.656 -0.116 -3.378 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.583 -0.795 -3.370 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.647 -1.454 -2.756 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.467 -2.078 -1.516 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.192 -2.052 -0.926 0.00 0.00 +0.018 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 3.069 1.288 -0.214 0.00 0.00 -0.314 N ATOM 9 C LIG 1 2.681 0.433 0.918 0.00 0.00 +0.114 C ATOM 10 C LIG 1 1.324 -0.187 0.654 0.00 0.00 +0.093 C ATOM 11 P LIG 1 1.444 -1.375 -0.699 0.00 0.00 +0.122 P ATOM 12 O LIG 1 1.845 -2.723 -0.144 0.00 0.00 -0.316 OA ATOM 13 C LIG 1 2.803 -0.707 -1.664 0.00 0.00 +0.093 C ATOM 14 C LIG 1 2.864 0.807 -1.589 0.00 0.00 +0.114 C BRANCH 8 18 ATOM 15 C LIG 1 6.384 3.718 0.547 0.00 0.00 +0.070 A ATOM 16 C LIG 1 6.003 2.673 1.367 0.00 0.00 +0.131 A ATOM 17 N LIG 1 4.929 1.878 1.131 0.00 0.00 -0.239 NA ATOM 18 C LIG 1 4.184 2.096 0.024 0.00 0.00 +0.121 A ATOM 19 C LIG 1 4.505 3.147 -0.839 0.00 0.00 +0.045 A ATOM 20 C LIG 1 5.612 3.961 -0.581 0.00 0.00 +0.024 A BRANCH 15 22 ATOM 21 N LIG 1 8.450 5.169 1.114 0.00 0.00 -0.191 NA ATOM 22 C LIG 1 7.524 4.517 0.861 0.00 0.00 +0.101 C ENDBRANCH 15 22 ENDBRANCH 8 18 ENDBRANCH 1 11 BRANCH 6 23 ATOM 23 C LIG 1 -3.612 -2.815 -0.858 0.00 0.00 +0.093 C BRANCH 23 24 ATOM 24 C LIG 1 -3.789 -2.474 0.616 0.00 0.00 +0.074 A ATOM 25 C LIG 1 -4.424 -1.191 1.015 0.00 0.00 +0.011 A ATOM 26 C LIG 1 -4.540 -0.937 2.380 0.00 0.00 +0.050 A ATOM 27 C LIG 1 -5.123 0.250 2.841 0.00 0.00 +0.014 A ATOM 28 C LIG 1 -5.594 1.190 1.926 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.483 0.942 0.559 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.040 -1.932 3.342 0.00 0.00 +0.272 A ATOM 31 O LIG 1 -4.121 -1.751 4.552 0.00 0.00 -0.266 OA ATOM 32 N LIG 1 -3.482 -3.065 2.803 0.00 0.00 -0.242 N ATOM 33 H LIG 1 -3.126 -3.761 3.451 0.00 0.00 +0.192 HD ATOM 34 C LIG 1 -4.901 -0.245 0.100 0.00 0.00 +0.010 A ATOM 35 N LIG 1 -3.353 -3.343 1.480 0.00 0.00 -0.175 NA ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 5