REMARK Name = BDB004735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.750 -1.083 -0.102 0.00 0.00 +0.116 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.475 -0.734 -0.947 0.00 0.00 -0.024 A ATOM 3 C LIG 1 -1.657 -0.289 -0.327 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.793 0.052 -1.077 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -2.740 -0.058 -2.466 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.576 -0.504 -3.097 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.453 -0.841 -2.345 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -3.929 0.482 -0.358 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -3.824 0.480 0.651 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -5.142 0.920 -0.868 0.00 0.00 +0.254 C ATOM 11 O LIG 1 -5.402 1.040 -2.059 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 -6.188 1.276 0.136 0.00 0.00 +0.107 A ATOM 13 C LIG 1 -5.895 1.476 1.488 0.00 0.00 +0.138 A ATOM 14 F LIG 1 -4.642 1.338 1.951 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -6.886 1.823 2.410 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -8.204 1.976 1.988 0.00 0.00 +0.006 A ATOM 17 C LIG 1 -8.518 1.779 0.646 0.00 0.00 +0.039 A ATOM 18 C LIG 1 -7.518 1.433 -0.267 0.00 0.00 +0.138 A ATOM 19 F LIG 1 -7.896 1.238 -1.539 0.00 0.00 -0.205 F ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 1.897 -0.322 -0.636 0.00 0.00 -0.320 N ATOM 21 H LIG 1 1.584 0.591 -0.960 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 2.991 -0.120 0.232 0.00 0.00 +0.130 A ATOM 23 C LIG 1 4.113 0.602 -0.231 0.00 0.00 +0.041 A ATOM 24 C LIG 1 5.168 0.786 0.684 0.00 0.00 +0.088 A ATOM 25 C LIG 1 6.292 1.517 0.245 0.00 0.00 +0.063 A ATOM 26 C LIG 1 6.364 2.034 -1.064 0.00 0.00 +0.015 A ATOM 27 C LIG 1 5.328 1.833 -1.960 0.00 0.00 +0.002 A ATOM 28 N LIG 1 5.085 0.270 1.932 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 3.986 -0.420 2.255 0.00 0.00 +0.223 A ATOM 30 C LIG 1 4.212 1.120 -1.547 0.00 0.00 +0.013 A ATOM 31 N LIG 1 2.937 -0.642 1.466 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 7.480 1.797 1.112 0.00 0.00 +0.244 C ATOM 33 O LIG 1 8.446 2.428 0.695 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 7.474 1.334 2.394 0.00 0.00 -0.325 N ATOM 35 H LIG 1 6.692 0.792 2.749 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 8.278 1.504 2.980 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 1.034 -2.618 -0.115 0.00 0.00 +0.107 C BRANCH 37 39 ATOM 38 C LIG 1 0.306 -4.825 0.541 0.00 0.00 +0.101 C ATOM 39 N LIG 1 0.039 -3.397 0.653 0.00 0.00 -0.317 NA ATOM 40 H LIG 1 0.100 -3.123 1.633 0.00 0.00 +0.122 HD ENDBRANCH 37 39 ENDBRANCH 1 37 TORSDOF 8