REMARK Name = BDB004877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.718 -0.843 -1.284 0.00 0.00 +0.130 A ATOM 2 C LIG 1 0.627 -0.516 -1.005 0.00 0.00 +0.044 A ATOM 3 C LIG 1 1.355 0.103 -2.036 0.00 0.00 +0.088 A ATOM 4 C LIG 1 2.694 0.452 -1.764 0.00 0.00 +0.066 A ATOM 5 C LIG 1 3.292 0.185 -0.515 0.00 0.00 +0.060 A ATOM 6 C LIG 1 2.576 -0.442 0.490 0.00 0.00 +0.123 A ATOM 7 N LIG 1 0.779 0.337 -3.236 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -0.491 -0.048 -3.405 0.00 0.00 +0.223 A ATOM 9 C LIG 1 1.253 -0.789 0.238 0.00 0.00 +0.059 A ATOM 10 N LIG 1 -1.263 -0.631 -2.491 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 3.584 1.116 -2.768 0.00 0.00 +0.244 C ATOM 12 O LIG 1 4.780 1.284 -2.554 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 3.039 1.539 -3.944 0.00 0.00 -0.325 N ATOM 14 H LIG 1 3.649 1.918 -4.654 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 2.077 1.311 -4.178 0.00 0.00 +0.145 HD ENDBRANCH 4 11 BRANCH 1 16 ATOM 16 N LIG 1 -1.501 -1.456 -0.285 0.00 0.00 -0.320 N ATOM 17 H LIG 1 -1.425 -0.908 0.569 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 -2.914 -1.733 -0.594 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 -3.764 -0.531 -0.189 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -4.276 0.318 -1.183 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -5.047 1.431 -0.845 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.312 1.716 0.492 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -4.803 0.892 1.492 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -4.030 -0.222 1.156 0.00 0.00 +0.005 A ENDBRANCH 18 19 BRANCH 18 25 ATOM 25 C LIG 1 -3.327 -3.056 0.140 0.00 0.00 +0.107 C BRANCH 25 27 ATOM 26 C LIG 1 -5.090 -3.904 -1.306 0.00 0.00 +0.101 C ATOM 27 N LIG 1 -4.737 -3.478 0.041 0.00 0.00 -0.317 NA ATOM 28 H LIG 1 -5.339 -2.698 0.311 0.00 0.00 +0.122 HD ENDBRANCH 25 27 ENDBRANCH 18 25 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 6 29 ATOM 29 O LIG 1 3.025 -0.766 1.736 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 4.372 -0.437 2.095 0.00 0.00 +0.264 C BRANCH 30 31 ATOM 31 C LIG 1 4.518 1.003 2.527 0.00 0.00 -0.010 A ATOM 32 C LIG 1 3.608 1.574 3.429 0.00 0.00 +0.007 A ATOM 33 C LIG 1 3.754 2.899 3.842 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.815 3.665 3.363 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.731 3.107 2.474 0.00 0.00 +0.000 A ATOM 36 C LIG 1 5.588 1.781 2.062 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 6 29 TORSDOF 9