REMARK Name = BDB046151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.298 -0.439 -0.798 0.00 0.00 +0.039 A ATOM 2 C LIG 1 4.310 -1.777 -1.209 0.00 0.00 +0.039 A ATOM 3 C LIG 1 3.190 -2.248 -1.905 0.00 0.00 +0.048 A ATOM 4 N LIG 1 2.932 -3.498 -2.404 0.00 0.00 -0.354 N ATOM 5 H LIG 1 3.540 -4.306 -2.323 0.00 0.00 +0.166 HD ATOM 6 C LIG 1 1.704 -3.544 -3.028 0.00 0.00 +0.060 A ATOM 7 C LIG 1 1.140 -2.269 -2.929 0.00 0.00 +0.016 A ATOM 8 C LIG 1 -0.145 -2.062 -3.500 0.00 0.00 -0.005 A ATOM 9 C LIG 1 -0.797 -3.146 -4.121 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -0.203 -4.405 -4.199 0.00 0.00 +0.016 A ATOM 11 C LIG 1 1.072 -4.628 -3.666 0.00 0.00 +0.060 A ATOM 12 C LIG 1 2.089 -1.448 -2.216 0.00 0.00 +0.008 A ATOM 13 C LIG 1 2.120 -0.094 -1.807 0.00 0.00 +0.011 A ATOM 14 C LIG 1 3.228 0.402 -1.108 0.00 0.00 +0.014 A ENDROOT BRANCH 1 20 ATOM 15 C LIG 1 5.713 1.657 5.196 0.00 0.00 +0.105 C ATOM 16 N LIG 1 5.071 1.866 3.900 0.00 0.00 -0.302 NA ATOM 17 C LIG 1 4.358 0.646 3.470 0.00 0.00 +0.103 C ATOM 18 C LIG 1 4.055 0.619 1.960 0.00 0.00 +0.123 C ATOM 19 N LIG 1 5.282 0.710 1.157 0.00 0.00 -0.295 N ATOM 20 C LIG 1 5.476 0.083 -0.068 0.00 0.00 +0.247 C ATOM 21 O LIG 1 6.584 -0.065 -0.581 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 6.440 1.304 1.823 0.00 0.00 +0.123 C ATOM 23 C LIG 1 6.032 2.343 2.882 0.00 0.00 +0.103 C ENDBRANCH 1 20 BRANCH 8 24 ATOM 24 C LIG 1 -0.783 -0.749 -3.442 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.698 -0.428 -2.429 0.00 0.00 +0.152 A ATOM 26 F LIG 1 -1.993 -1.343 -1.487 0.00 0.00 -0.203 F ATOM 27 C LIG 1 -2.321 0.827 -2.357 0.00 0.00 +0.070 A ATOM 28 C LIG 1 -2.017 1.781 -3.327 0.00 0.00 +0.026 A ATOM 29 C LIG 1 -1.113 1.480 -4.351 0.00 0.00 +0.003 A ATOM 30 C LIG 1 -0.503 0.226 -4.410 0.00 0.00 +0.011 A BRANCH 27 31 ATOM 31 N LIG 1 -3.217 1.037 -1.284 0.00 0.00 -0.279 N ATOM 32 H LIG 1 -3.335 0.234 -0.676 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -3.992 2.153 -1.041 0.00 0.00 +0.248 C ATOM 34 O LIG 1 -4.084 3.145 -1.754 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -4.812 2.093 0.202 0.00 0.00 +0.037 A ATOM 36 C LIG 1 -4.369 1.448 1.356 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -5.181 1.421 2.501 0.00 0.00 +0.024 A ATOM 38 C LIG 1 -6.444 2.041 2.548 0.00 0.00 +0.029 A ATOM 39 C LIG 1 -6.857 2.682 1.366 0.00 0.00 +0.024 A ATOM 40 C LIG 1 -6.056 2.721 0.215 0.00 0.00 +0.015 A BRANCH 38 41 ATOM 41 N LIG 1 -7.252 1.985 3.690 0.00 0.00 -0.336 N ATOM 42 C LIG 1 -6.623 1.710 4.981 0.00 0.00 +0.129 C ATOM 43 C LIG 1 -8.470 2.792 3.744 0.00 0.00 +0.129 C ENDBRANCH 38 41 ENDBRANCH 33 35 ENDBRANCH 27 31 ENDBRANCH 8 24 BRANCH 11 44 ATOM 44 C LIG 1 1.765 -5.944 -3.728 0.00 0.00 +0.244 C ATOM 45 O LIG 1 2.754 -6.178 -3.041 0.00 0.00 -0.270 OA ATOM 46 N LIG 1 1.293 -6.878 -4.607 0.00 0.00 -0.325 N ATOM 47 H LIG 1 0.677 -6.644 -5.371 0.00 0.00 +0.145 HD ATOM 48 H LIG 1 1.858 -7.711 -4.711 0.00 0.00 +0.145 HD ENDBRANCH 11 44 TORSDOF 6