REMARK Name = BDB024023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.312 -2.557 0.417 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.015 -2.230 -0.020 0.00 0.00 +0.018 A ATOM 3 C LIG 1 0.091 -2.312 0.839 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -0.123 -2.788 2.131 0.00 0.00 +0.134 A ATOM 5 F LIG 1 0.906 -2.926 2.976 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -1.393 -3.140 2.578 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -2.488 -3.026 1.724 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 1.721 -1.893 0.296 0.00 0.00 +0.122 P ATOM 9 C LIG 1 1.600 -0.718 -1.081 0.00 0.00 +0.093 C ATOM 10 C LIG 1 2.824 0.176 -1.112 0.00 0.00 +0.114 C ATOM 11 N LIG 1 2.850 1.074 0.060 0.00 0.00 -0.314 N ATOM 12 C LIG 1 2.283 0.567 1.325 0.00 0.00 +0.114 C ATOM 13 C LIG 1 2.599 -0.902 1.527 0.00 0.00 +0.093 C ATOM 14 O LIG 1 2.564 -3.069 -0.135 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 4.099 1.720 0.208 0.00 0.00 +0.124 A ATOM 16 N LIG 1 4.785 1.595 1.362 0.00 0.00 -0.204 NA ATOM 17 C LIG 1 5.975 2.223 1.468 0.00 0.00 +0.215 A ATOM 18 F LIG 1 6.644 2.081 2.622 0.00 0.00 -0.184 F ATOM 19 C LIG 1 6.540 2.996 0.475 0.00 0.00 +0.059 A ATOM 20 C LIG 1 5.834 3.142 -0.707 0.00 0.00 +0.008 A ATOM 21 C LIG 1 4.603 2.501 -0.839 0.00 0.00 +0.044 A ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 22 ATOM 22 C LIG 1 -3.491 -2.457 -0.527 0.00 0.00 +0.093 C BRANCH 22 30 ATOM 23 O LIG 1 -3.647 2.342 -3.285 0.00 0.00 -0.266 OA ATOM 24 C LIG 1 -3.643 1.309 -2.626 0.00 0.00 +0.272 A ATOM 25 C LIG 1 -4.132 1.280 -1.238 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -4.108 0.078 -0.532 0.00 0.00 +0.011 A ATOM 27 C LIG 1 -4.573 0.050 0.787 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -5.056 1.218 1.386 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.078 2.417 0.674 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -3.573 -1.113 -1.242 0.00 0.00 +0.074 A ATOM 31 N LIG 1 -3.141 -1.069 -2.469 0.00 0.00 -0.175 NA ATOM 32 C LIG 1 -4.616 2.450 -0.641 0.00 0.00 +0.014 A ATOM 33 N LIG 1 -3.185 0.117 -3.130 0.00 0.00 -0.242 N ATOM 34 H LIG 1 -2.853 0.116 -4.090 0.00 0.00 +0.192 HD ENDBRANCH 22 30 ENDBRANCH 1 22 TORSDOF 4