REMARK Name = BDB049108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.425 2.550 0.374 0.00 0.00 +0.111 A ATOM 2 N LIG 1 0.247 1.656 -0.664 0.00 0.00 -0.323 N ATOM 3 C LIG 1 1.374 0.865 -0.742 0.00 0.00 +0.069 A ATOM 4 C LIG 1 2.188 1.326 0.285 0.00 0.00 +0.090 A ATOM 5 C LIG 1 3.439 0.729 0.501 0.00 0.00 +0.038 A ATOM 6 C LIG 1 3.863 -0.332 -0.322 0.00 0.00 -0.016 A ATOM 7 C LIG 1 3.009 -0.769 -1.350 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.755 -0.186 -1.584 0.00 0.00 +0.028 A ATOM 9 N LIG 1 1.591 2.359 0.959 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 5.174 -0.968 -0.109 0.00 0.00 -0.018 A ATOM 11 C LIG 1 6.351 -0.205 -0.067 0.00 0.00 +0.012 A ATOM 12 C LIG 1 7.594 -0.813 0.134 0.00 0.00 +0.046 A ATOM 13 C LIG 1 7.694 -2.195 0.299 0.00 0.00 +0.120 A ATOM 14 C LIG 1 6.534 -2.967 0.262 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.289 -2.357 0.059 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 O LIG 1 8.966 -2.659 0.487 0.00 0.00 -0.495 OA ATOM 17 C LIG 1 9.116 -4.060 0.679 0.00 0.00 +0.277 C ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 18 ATOM 18 C LIG 1 -0.562 3.596 0.780 0.00 0.00 +0.074 C BRANCH 18 20 ATOM 19 C LIG 1 -1.290 5.990 0.488 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -0.288 4.924 0.074 0.00 0.00 +0.004 C ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 -0.892 1.594 -1.569 0.00 0.00 +0.158 C BRANCH 21 22 ATOM 22 C LIG 1 -2.096 0.906 -0.968 0.00 0.00 -0.028 A ATOM 23 C LIG 1 -1.993 -0.333 -0.320 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -3.129 -0.966 0.193 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -4.398 -0.386 0.059 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -4.501 0.847 -0.598 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -3.367 1.482 -1.112 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 -5.588 -1.047 0.610 0.00 0.00 -0.004 A ATOM 29 C LIG 1 -6.258 -2.107 -0.035 0.00 0.00 +0.067 A ATOM 30 C LIG 1 -7.368 -2.717 0.578 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -7.820 -2.281 1.823 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -7.170 -1.234 2.466 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.066 -0.625 1.866 0.00 0.00 +0.009 A BRANCH 29 34 ATOM 34 C LIG 1 -5.840 -2.583 -1.379 0.00 0.00 +0.337 C ATOM 35 O LIG 1 -5.373 -1.928 -2.289 0.00 0.00 -0.245 OA BRANCH 34 36 ATOM 36 O LIG 1 -6.034 -3.910 -1.513 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 -5.708 -4.098 -2.418 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 29 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9