REMARK Name = BDB015826 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.520 -0.236 0.721 0.00 0.00 -0.308 N ATOM 2 H LIG 1 -0.686 -0.635 -0.197 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 0.753 0.243 0.955 0.00 0.00 +0.234 C ATOM 4 O LIG 1 1.008 1.054 1.846 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.841 -0.332 0.024 0.00 0.00 +0.161 C BRANCH 5 6 ATOM 6 N LIG 1 2.899 0.669 -0.051 0.00 0.00 -0.303 N ATOM 7 H LIG 1 3.089 1.197 0.796 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 3.758 0.757 -1.119 0.00 0.00 +0.218 C ATOM 9 O LIG 1 3.643 0.065 -2.127 0.00 0.00 -0.275 OA BRANCH 8 10 ATOM 10 C LIG 1 4.843 1.806 -0.967 0.00 0.00 +0.131 C BRANCH 10 11 ATOM 11 C LIG 1 5.820 1.482 0.137 0.00 0.00 -0.035 A ATOM 12 C LIG 1 6.703 0.401 -0.001 0.00 0.00 +0.050 A ATOM 13 C LIG 1 7.605 0.095 1.022 0.00 0.00 +0.129 A ATOM 14 C LIG 1 7.605 0.836 2.203 0.00 0.00 +0.046 A ATOM 15 C LIG 1 6.729 1.910 2.349 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.844 2.236 1.319 0.00 0.00 +0.004 A BRANCH 13 17 ATOM 17 O LIG 1 8.473 -0.972 0.955 0.00 0.00 -0.456 OA BRANCH 17 18 ATOM 18 C LIG 1 9.187 -1.130 -0.211 0.00 0.00 +0.128 A ATOM 19 C LIG 1 9.232 -2.411 -0.760 0.00 0.00 +0.046 A ATOM 20 C LIG 1 9.963 -2.642 -1.926 0.00 0.00 +0.004 A ATOM 21 C LIG 1 10.662 -1.596 -2.530 0.00 0.00 +0.000 A ATOM 22 C LIG 1 10.636 -0.319 -1.966 0.00 0.00 +0.004 A ATOM 23 C LIG 1 9.905 -0.085 -0.800 0.00 0.00 +0.046 A ENDBRANCH 17 18 ENDBRANCH 13 17 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 5 6 BRANCH 5 24 ATOM 24 C LIG 1 2.387 -1.705 0.480 0.00 0.00 +0.012 C ATOM 25 C LIG 1 1.357 -2.824 0.316 0.00 0.00 +0.009 C ATOM 26 C LIG 1 2.922 -1.691 1.917 0.00 0.00 +0.009 C ENDBRANCH 5 24 ENDBRANCH 3 5 BRANCH 1 27 ATOM 27 C LIG 1 -1.682 0.352 1.387 0.00 0.00 +0.106 C BRANCH 27 28 ATOM 28 C LIG 1 -2.824 -0.686 1.603 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 O LIG 1 -3.982 -0.065 2.168 0.00 0.00 -0.390 OA ATOM 30 H LIG 1 -3.708 0.300 3.032 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -3.202 -1.513 0.364 0.00 0.00 +0.042 C BRANCH 31 32 ATOM 32 C LIG 1 -4.501 -2.302 0.521 0.00 0.00 +0.099 C BRANCH 32 35 ATOM 33 N LIG 1 -6.301 -0.708 0.833 0.00 0.00 -0.285 N ATOM 34 H LIG 1 -5.656 -0.361 1.542 0.00 0.00 +0.155 HD ATOM 35 C LIG 1 -5.688 -1.559 -0.068 0.00 0.00 +0.217 C ATOM 36 O LIG 1 -5.987 -1.713 -1.248 0.00 0.00 -0.275 OA BRANCH 33 39 ATOM 37 C LIG 1 -8.713 -1.843 -0.667 0.00 0.00 +0.045 C ATOM 38 C LIG 1 -8.589 -0.443 -0.129 0.00 0.00 -0.029 A ATOM 39 C LIG 1 -7.490 0.039 0.619 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -7.593 1.312 1.239 0.00 0.00 -0.029 A ATOM 41 C LIG 1 -6.522 1.872 2.138 0.00 0.00 +0.045 C ATOM 42 C LIG 1 -8.720 2.119 1.002 0.00 0.00 +0.005 A ATOM 43 C LIG 1 -9.753 1.677 0.189 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -9.691 0.404 -0.363 0.00 0.00 +0.005 A ENDBRANCH 33 39 ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 BRANCH 27 45 ATOM 45 C LIG 1 -2.105 1.711 0.765 0.00 0.00 +0.060 C BRANCH 45 46 ATOM 46 C LIG 1 -2.397 1.721 -0.717 0.00 0.00 -0.046 A ATOM 47 C LIG 1 -1.357 1.840 -1.649 0.00 0.00 +0.004 A ATOM 48 C LIG 1 -1.625 1.831 -3.019 0.00 0.00 +0.000 A ATOM 49 C LIG 1 -2.937 1.708 -3.471 0.00 0.00 +0.000 A ATOM 50 C LIG 1 -3.981 1.605 -2.555 0.00 0.00 +0.000 A ATOM 51 C LIG 1 -3.714 1.621 -1.186 0.00 0.00 +0.004 A ENDBRANCH 45 46 ENDBRANCH 27 45 ENDBRANCH 1 27 TORSDOF 16