REMARK Name = BDB000847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.843 -0.290 -0.482 0.00 0.00 +0.163 C ATOM 2 C LIG 1 1.736 0.078 0.514 0.00 0.00 +0.237 C ATOM 3 O LIG 1 1.689 -0.400 1.650 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 0.792 0.952 0.042 0.00 0.00 -0.281 N ATOM 5 C LIG 1 0.986 1.823 -1.107 0.00 0.00 +0.107 C ATOM 6 C LIG 1 0.099 3.022 -0.737 0.00 0.00 +0.029 C ATOM 7 C LIG 1 -1.075 2.394 0.003 0.00 0.00 +0.034 C ATOM 8 C LIG 1 0.742 1.072 -2.406 0.00 0.00 -0.024 A ATOM 9 C LIG 1 1.352 -0.181 -2.669 0.00 0.00 -0.040 A ATOM 10 C LIG 1 1.105 -0.818 -3.907 0.00 0.00 +0.004 A ATOM 11 C LIG 1 0.301 -0.237 -4.882 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -0.281 0.995 -4.637 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -0.061 1.641 -3.419 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -0.430 1.244 0.781 0.00 0.00 +0.163 C ATOM 15 C LIG 1 2.221 -0.979 -1.703 0.00 0.00 +0.067 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 5.059 -1.387 -0.180 0.00 0.00 +0.230 C ATOM 17 N LIG 1 3.764 -1.182 0.227 0.00 0.00 -0.302 N ATOM 18 H LIG 1 3.410 -1.593 1.086 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 5.500 -0.881 -1.212 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 5.885 -2.358 0.706 0.00 0.00 +0.137 C ATOM 21 C LIG 1 5.827 -2.008 2.192 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 8.128 -1.342 0.508 0.00 0.00 +0.101 C ATOM 23 N LIG 1 7.273 -2.481 0.189 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 7.199 -2.530 -0.832 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 14 25 ATOM 25 C LIG 1 -1.391 0.037 0.820 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -2.495 0.241 1.628 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -2.674 1.175 1.969 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -1.216 -0.994 0.175 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 C LIG 1 -3.622 -0.683 1.634 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -4.739 -0.098 0.788 0.00 0.00 -0.024 A ATOM 31 C LIG 1 -5.881 0.486 1.370 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -6.871 1.038 0.541 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -6.726 1.028 -0.846 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.596 0.458 -1.423 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.109 0.469 2.861 0.00 0.00 +0.035 C ATOM 36 C LIG 1 -4.841 0.204 3.667 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -4.610 -0.102 -0.612 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -4.064 -0.968 3.076 0.00 0.00 +0.027 C ENDBRANCH 26 29 ENDBRANCH 14 25 TORSDOF 5