REMARK Name = BDB042158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.091 0.622 -0.126 0.00 0.00 -0.324 N ATOM 2 C LIG 1 -0.629 -0.628 0.457 0.00 0.00 +0.088 C ATOM 3 C LIG 1 -2.067 -0.345 0.998 0.00 0.00 +0.108 C ATOM 4 N LIG 1 -2.985 0.194 -0.049 0.00 0.00 -0.285 NA ATOM 5 C LIG 1 -2.236 0.263 -1.335 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -1.692 -1.121 -1.756 0.00 0.00 +0.022 C ATOM 7 C LIG 1 -0.747 -1.664 -0.673 0.00 0.00 +0.025 C ATOM 8 C LIG 1 -1.005 1.210 -1.137 0.00 0.00 +0.124 C ENDROOT BRANCH 1 16 ATOM 9 N LIG 1 5.818 0.695 0.576 0.00 0.00 -0.222 N ATOM 10 C LIG 1 4.781 -0.179 0.757 0.00 0.00 +0.255 C ATOM 11 O LIG 1 4.807 -1.328 1.155 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.566 0.520 0.346 0.00 0.00 +0.051 A ATOM 13 C LIG 1 3.938 1.767 -0.108 0.00 0.00 +0.050 A ATOM 14 C LIG 1 3.009 2.665 -0.574 0.00 0.00 +0.015 A ATOM 15 C LIG 1 1.667 2.254 -0.569 0.00 0.00 +0.024 A ATOM 16 C LIG 1 1.250 0.969 -0.117 0.00 0.00 +0.031 A ATOM 17 C LIG 1 2.247 0.099 0.355 0.00 0.00 +0.037 A ATOM 18 C LIG 1 5.389 1.870 0.017 0.00 0.00 +0.254 C ATOM 19 O LIG 1 6.042 2.838 -0.320 0.00 0.00 -0.270 OA BRANCH 9 26 ATOM 20 O LIG 1 10.506 -2.133 0.984 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.527 -1.396 0.927 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.822 -1.244 -0.241 0.00 0.00 -0.255 N ATOM 23 H LIG 1 9.123 -1.819 -1.016 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.668 -0.519 -0.444 0.00 0.00 +0.240 C ATOM 25 O LIG 1 7.092 -0.560 -1.530 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 7.226 0.365 0.727 0.00 0.00 +0.171 C ATOM 27 C LIG 1 7.574 -0.306 2.053 0.00 0.00 +0.041 C ATOM 28 C LIG 1 9.072 -0.565 2.105 0.00 0.00 +0.098 C ENDBRANCH 9 26 ENDBRANCH 1 16 BRANCH 4 29 ATOM 29 C LIG 1 -4.278 -0.535 -0.105 0.00 0.00 +0.118 C BRANCH 29 30 ATOM 30 C LIG 1 -5.043 -0.516 1.229 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -5.758 -1.656 1.636 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.473 -1.660 2.835 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.490 -0.524 3.642 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.797 0.618 3.249 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.082 0.624 2.050 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.198 -0.048 -1.231 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -5.548 1.308 -1.361 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.391 1.732 -2.389 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.899 0.809 -3.300 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.566 -0.539 -3.184 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.723 -0.966 -2.157 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 4 29 TORSDOF 5