REMARK Name = BDB056695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.196 -0.925 -0.725 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.278 -0.962 -1.587 0.00 0.00 -0.268 N ATOM 3 C LIG 1 -2.489 -0.248 -1.627 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -3.284 -0.704 -2.677 0.00 0.00 +0.070 A ATOM 5 N LIG 1 -4.508 -0.235 -2.992 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 -4.963 0.765 -2.207 0.00 0.00 +0.115 A ATOM 7 C LIG 1 -4.250 1.309 -1.136 0.00 0.00 -0.023 A ATOM 8 C LIG 1 -2.623 -1.843 -3.423 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -2.547 -1.570 -4.926 0.00 0.00 +0.019 C ATOM 10 C LIG 1 -3.358 -3.158 -3.146 0.00 0.00 +0.019 C ATOM 11 C LIG 1 -2.974 0.788 -0.853 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -1.223 -1.834 -2.775 0.00 0.00 +0.126 C ATOM 13 O LIG 1 0.834 -1.545 -1.014 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -0.315 -0.112 0.572 0.00 0.00 +0.181 C BRANCH 14 16 ATOM 15 C LIG 1 2.126 -0.144 1.242 0.00 0.00 +0.088 C ATOM 16 N LIG 1 0.706 -0.374 1.607 0.00 0.00 -0.287 NA ATOM 17 C LIG 1 0.551 -1.716 2.215 0.00 0.00 +0.103 C ATOM 18 C LIG 1 1.679 -2.096 3.223 0.00 0.00 +0.065 C ATOM 19 C LIG 1 2.609 -3.184 2.677 0.00 0.00 +0.025 C ATOM 20 N LIG 1 2.450 -0.924 3.681 0.00 0.00 -0.311 NA ATOM 21 H LIG 1 1.771 -0.298 4.122 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 3.002 -0.158 2.538 0.00 0.00 +0.101 C BRANCH 15 23 ATOM 23 C LIG 1 2.412 1.144 0.427 0.00 0.00 +0.128 C BRANCH 23 27 ATOM 24 C LIG 1 6.699 0.318 -2.077 0.00 0.00 +0.041 C ATOM 25 C LIG 1 5.750 0.928 -1.107 0.00 0.00 -0.048 C ATOM 26 C LIG 1 4.345 0.419 -1.044 0.00 0.00 +0.139 C ATOM 27 N LIG 1 3.792 1.259 -0.018 0.00 0.00 -0.292 N ATOM 28 C LIG 1 4.710 2.147 0.495 0.00 0.00 +0.243 C ATOM 29 O LIG 1 4.542 2.971 1.374 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 5.979 1.919 -0.229 0.00 0.00 +0.012 C ATOM 31 C LIG 1 7.185 2.720 0.079 0.00 0.00 +0.049 C ENDBRANCH 23 27 ENDBRANCH 15 23 ENDBRANCH 14 16 ENDBRANCH 1 14 BRANCH 7 32 ATOM 32 C LIG 1 -4.834 2.433 -0.316 0.00 0.00 +0.071 C BRANCH 32 33 ATOM 33 C LIG 1 -5.031 2.083 1.143 0.00 0.00 -0.043 A ATOM 34 C LIG 1 -6.012 1.152 1.524 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -6.184 0.819 2.868 0.00 0.00 +0.038 A ATOM 36 C LIG 1 -5.378 1.414 3.831 0.00 0.00 +0.123 A ATOM 37 F LIG 1 -5.544 1.093 5.120 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -4.404 2.338 3.475 0.00 0.00 +0.038 A ATOM 39 C LIG 1 -4.229 2.674 2.132 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 6