REMARK Name = BDB064603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.423 -0.117 -1.300 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.563 0.654 -1.869 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.773 1.580 -1.504 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.717 -1.230 -1.732 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.462 0.151 -0.357 0.00 0.00 +0.237 C ATOM 6 N LIG 1 -2.306 -0.163 0.320 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -1.056 0.509 -0.044 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -0.129 0.327 1.167 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -1.091 0.005 2.305 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -2.159 -0.833 1.605 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -3.447 0.909 -1.335 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 -1.625 1.229 2.815 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -2.603 1.149 2.872 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -4.808 -0.384 0.176 0.00 0.00 +0.162 C BRANCH 14 17 ATOM 15 C LIG 1 -6.012 2.791 1.874 0.00 0.00 +0.109 C ATOM 16 C LIG 1 -5.292 1.478 1.729 0.00 0.00 +0.211 C ATOM 17 N LIG 1 -5.561 0.820 0.548 0.00 0.00 -0.304 N ATOM 18 H LIG 1 -5.832 1.409 -0.232 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -4.516 1.059 2.585 0.00 0.00 -0.276 OA ENDBRANCH 14 17 BRANCH 14 20 ATOM 20 C LIG 1 -5.545 -1.188 -0.919 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -6.935 -1.628 -0.446 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -4.738 -2.425 -1.330 0.00 0.00 +0.009 C ENDBRANCH 14 20 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 23 ATOM 23 C LIG 1 1.260 0.264 -3.088 0.00 0.00 +0.163 C BRANCH 23 24 ATOM 24 C LIG 1 1.903 1.521 -3.697 0.00 0.00 +0.231 C ATOM 25 O LIG 1 1.985 2.595 -3.105 0.00 0.00 -0.274 OA ATOM 26 N LIG 1 2.401 1.395 -4.964 0.00 0.00 -0.328 N ATOM 27 H LIG 1 2.085 0.659 -5.582 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 2.723 2.252 -5.397 0.00 0.00 +0.145 HD ENDBRANCH 23 24 BRANCH 23 29 ATOM 29 C LIG 1 2.277 -0.875 -2.889 0.00 0.00 +0.067 C BRANCH 29 30 ATOM 30 C LIG 1 3.236 -0.688 -1.734 0.00 0.00 -0.045 A ATOM 31 C LIG 1 3.042 -1.393 -0.540 0.00 0.00 +0.004 A ATOM 32 C LIG 1 3.911 -1.217 0.541 0.00 0.00 +0.009 A ATOM 33 C LIG 1 4.998 -0.333 0.460 0.00 0.00 -0.018 A ATOM 34 C LIG 1 5.188 0.364 -0.743 0.00 0.00 +0.009 A ATOM 35 C LIG 1 4.323 0.188 -1.827 0.00 0.00 +0.004 A BRANCH 33 36 ATOM 36 C LIG 1 5.908 -0.142 1.601 0.00 0.00 -0.018 A ATOM 37 C LIG 1 6.163 1.140 2.116 0.00 0.00 +0.008 A ATOM 38 C LIG 1 7.025 1.323 3.201 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.648 0.225 3.789 0.00 0.00 +0.000 A ATOM 40 C LIG 1 7.410 -1.054 3.293 0.00 0.00 +0.001 A ATOM 41 C LIG 1 6.546 -1.236 2.209 0.00 0.00 +0.008 A ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 2 23 TORSDOF 10