REMARK Name = BDB002347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.597 0.397 -0.802 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.472 1.272 -0.783 0.00 0.00 -0.303 N ATOM 3 H LIG 1 0.479 1.962 -0.040 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.532 -0.712 -1.333 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.785 0.824 -1.233 0.00 0.00 +0.157 C ATOM 6 C LIG 1 2.578 1.984 -1.817 0.00 0.00 +0.038 C BRANCH 5 7 ATOM 7 C LIG 1 2.540 0.239 -0.029 0.00 0.00 +0.249 C ATOM 8 N LIG 1 3.562 -0.634 -0.376 0.00 0.00 -0.235 N ATOM 9 H LIG 1 3.455 -1.201 -1.214 0.00 0.00 +0.173 HD ATOM 10 O LIG 1 2.303 0.571 1.135 0.00 0.00 -0.272 OA BRANCH 8 11 ATOM 11 N LIG 1 4.182 -1.311 0.696 0.00 0.00 -0.264 N ATOM 12 H LIG 1 3.758 -1.028 1.592 0.00 0.00 +0.170 HD BRANCH 11 13 ATOM 13 C LIG 1 5.589 -1.131 0.744 0.00 0.00 +0.044 A ATOM 14 C LIG 1 6.242 -1.260 1.978 0.00 0.00 +0.024 A ATOM 15 C LIG 1 7.634 -1.165 2.071 0.00 0.00 +0.002 A ATOM 16 C LIG 1 8.396 -0.965 0.924 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.769 -0.877 -0.316 0.00 0.00 +0.002 A ATOM 18 C LIG 1 6.376 -0.974 -0.406 0.00 0.00 +0.024 A ENDBRANCH 11 13 ENDBRANCH 8 11 ENDBRANCH 5 7 ENDBRANCH 2 5 BRANCH 1 19 ATOM 19 C LIG 1 -1.864 0.909 -0.081 0.00 0.00 +0.159 C BRANCH 19 21 ATOM 20 C LIG 1 -3.744 0.543 -1.646 0.00 0.00 +0.230 C ATOM 21 N LIG 1 -2.998 0.133 -0.559 0.00 0.00 -0.303 N ATOM 22 H LIG 1 -2.961 -0.879 -0.449 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -3.682 1.680 -2.105 0.00 0.00 -0.274 OA BRANCH 20 24 ATOM 24 C LIG 1 -4.607 -0.588 -2.265 0.00 0.00 +0.137 C ATOM 25 C LIG 1 -5.794 0.011 -3.017 0.00 0.00 +0.034 C BRANCH 24 27 ATOM 26 C LIG 1 -5.510 -2.794 -1.722 0.00 0.00 +0.101 C ATOM 27 N LIG 1 -5.017 -1.530 -1.194 0.00 0.00 -0.309 NA ATOM 28 H LIG 1 -5.745 -1.087 -0.631 0.00 0.00 +0.122 HD ENDBRANCH 24 27 ENDBRANCH 20 24 ENDBRANCH 19 21 BRANCH 19 29 ATOM 29 C LIG 1 -1.705 0.776 1.435 0.00 0.00 +0.041 C BRANCH 29 30 ATOM 30 C LIG 1 -2.907 1.352 2.185 0.00 0.00 +0.098 C BRANCH 30 31 ATOM 31 C LIG 1 -2.720 1.298 3.684 0.00 0.00 +0.211 C ATOM 32 O LIG 1 -1.726 0.864 4.251 0.00 0.00 -0.276 OA ATOM 33 N LIG 1 -3.772 1.800 4.395 0.00 0.00 -0.329 N ATOM 34 H LIG 1 -4.669 1.988 3.971 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 -3.724 1.717 5.402 0.00 0.00 +0.145 HD ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 19 29 ENDBRANCH 1 19 TORSDOF 11