REMARK Name = BDB016734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.943 -2.533 -0.543 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.416 -2.466 -1.846 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.416 -1.526 -2.120 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.104 -0.665 -1.163 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.084 0.117 -1.855 0.00 0.00 +0.100 A ATOM 6 N LIG 1 1.137 -0.224 -3.155 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.406 -0.738 0.146 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.250 -1.221 -3.274 0.00 0.00 -0.276 N ATOM 9 H LIG 1 0.135 -1.652 -4.184 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.410 -1.674 0.434 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.174 0.744 0.068 0.00 0.00 -0.047 A ATOM 12 C LIG 1 -4.608 -0.476 -0.345 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -4.856 -1.625 0.391 0.00 0.00 -0.010 A ATOM 14 C LIG 1 -4.415 -3.055 0.251 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.037 -3.514 -0.187 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.109 -3.766 1.389 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -5.824 -2.810 2.090 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -6.378 -3.030 2.902 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.034 -4.960 1.626 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.239 -3.703 -1.092 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.689 -1.544 1.517 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.266 -0.370 1.952 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -5.995 0.786 1.216 0.00 0.00 +0.005 A BRANCH 11 25 ATOM 24 C LIG 1 -3.528 2.602 -0.304 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -4.873 2.008 -0.699 0.00 0.00 +0.032 C ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.948 1.170 -1.323 0.00 0.00 +0.003 A ATOM 27 C LIG 1 2.582 1.023 -0.080 0.00 0.00 +0.015 A ATOM 28 C LIG 1 3.417 2.030 0.434 0.00 0.00 -0.033 A ATOM 29 C LIG 1 3.594 3.202 -0.315 0.00 0.00 +0.005 A ATOM 30 C LIG 1 2.978 3.354 -1.557 0.00 0.00 +0.001 A ATOM 31 C LIG 1 2.165 2.340 -2.061 0.00 0.00 +0.010 A BRANCH 28 32 ATOM 32 C LIG 1 4.106 1.857 1.772 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.425 1.221 1.764 0.00 0.00 -0.294 NA ATOM 34 C LIG 1 6.482 2.003 1.105 0.00 0.00 +0.113 C ATOM 35 C LIG 1 7.747 1.155 0.900 0.00 0.00 +0.175 C ATOM 36 O LIG 1 7.535 0.031 0.032 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 6.172 -0.419 0.015 0.00 0.00 +0.175 C ATOM 38 C LIG 1 5.450 -0.192 1.353 0.00 0.00 +0.113 C ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 5 26 TORSDOF 5