REMARK Name = BDB018607 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.854 -0.223 0.018 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.762 0.995 -0.647 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.036 1.140 -1.714 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.496 2.092 -0.208 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.353 1.962 0.888 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.496 0.727 1.541 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.728 -0.363 1.103 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -3.116 0.837 -1.783 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -3.411 -0.093 -0.605 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -4.047 -1.319 -1.056 0.00 0.00 -0.304 N ATOM 11 C LIG 1 -3.350 -2.487 -1.250 0.00 0.00 +0.152 A ATOM 12 N LIG 1 -4.184 -3.416 -1.658 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 -5.433 -2.854 -1.729 0.00 0.00 -0.127 NA ATOM 14 C LIG 1 -1.895 -2.636 -0.981 0.00 0.00 +0.184 C ATOM 15 N LIG 1 -1.271 -1.377 -0.564 0.00 0.00 -0.288 N ATOM 16 C LIG 1 0.120 -1.410 -0.452 0.00 0.00 +0.250 C ATOM 17 O LIG 1 0.790 -2.411 -0.704 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -5.362 -1.583 -1.360 0.00 0.00 +0.183 A ATOM 19 C LIG 1 -2.126 -0.435 0.170 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 -6.501 -0.662 -1.308 0.00 0.00 +0.108 A ATOM 21 N LIG 1 -6.267 0.589 -0.842 0.00 0.00 -0.252 NA ATOM 22 C LIG 1 -7.319 1.439 -0.795 0.00 0.00 +0.111 A ATOM 23 C LIG 1 -8.603 1.104 -1.189 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -8.827 -0.182 -1.662 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -7.764 -1.079 -1.723 0.00 0.00 +0.031 A ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 26 ATOM 26 C LIG 1 3.435 0.572 2.717 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 4.838 1.101 2.446 0.00 0.00 +0.074 A ATOM 28 C LIG 1 5.790 0.307 1.625 0.00 0.00 +0.011 A ATOM 29 C LIG 1 7.051 0.858 1.406 0.00 0.00 +0.050 A ATOM 30 C LIG 1 8.006 0.177 0.641 0.00 0.00 +0.014 A ATOM 31 C LIG 1 7.694 -1.065 0.091 0.00 0.00 +0.001 A ATOM 32 C LIG 1 6.435 -1.622 0.306 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.374 2.171 1.989 0.00 0.00 +0.272 A ATOM 34 O LIG 1 8.471 2.693 1.825 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 6.378 2.767 2.723 0.00 0.00 -0.242 N ATOM 36 H LIG 1 6.586 3.671 3.136 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 5.483 -0.941 1.072 0.00 0.00 +0.010 A ATOM 38 N LIG 1 5.138 2.262 2.953 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4