REMARK Name = BDB003634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.265 2.500 0.654 0.00 0.00 -0.285 OA ATOM 2 C LIG 1 -1.406 2.425 0.242 0.00 0.00 +0.211 C ATOM 3 C LIG 1 -2.315 3.571 0.176 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -3.679 3.357 0.394 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -4.555 4.447 0.356 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -4.062 5.728 0.098 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -2.695 5.930 -0.105 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -4.201 2.010 0.739 0.00 0.00 +0.201 C ATOM 9 O LIG 1 -5.327 1.886 1.198 0.00 0.00 -0.289 OA ATOM 10 C LIG 1 -3.300 0.835 0.530 0.00 0.00 +0.210 C ATOM 11 C LIG 1 -1.813 4.852 -0.059 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -1.999 1.092 -0.123 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -1.487 0.237 -0.957 0.00 0.00 -0.245 NA ENDROOT BRANCH 10 14 ATOM 14 N LIG 1 -3.721 -0.465 0.775 0.00 0.00 -0.223 N ATOM 15 C LIG 1 -2.927 -1.591 1.082 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -3.844 -2.644 1.111 0.00 0.00 +0.084 A ATOM 17 C LIG 1 -3.494 -3.961 1.365 0.00 0.00 +0.029 A ATOM 18 C LIG 1 -2.133 -4.184 1.616 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -1.199 -3.128 1.622 0.00 0.00 +0.002 A ATOM 20 N LIG 1 -5.063 -2.046 0.873 0.00 0.00 -0.259 N ATOM 21 H LIG 1 -5.964 -2.532 0.846 0.00 0.00 +0.191 HD ATOM 22 C LIG 1 -1.576 -1.800 1.367 0.00 0.00 +0.029 A ATOM 23 N LIG 1 -5.025 -0.743 0.694 0.00 0.00 -0.088 NA ENDBRANCH 10 14 BRANCH 13 24 ATOM 24 C LIG 1 -0.270 0.523 -1.593 0.00 0.00 +0.068 A ATOM 25 C LIG 1 0.914 -0.006 -1.083 0.00 0.00 +0.074 A ATOM 26 C LIG 1 2.121 0.239 -1.736 0.00 0.00 +0.134 A ATOM 27 C LIG 1 2.174 1.026 -2.882 0.00 0.00 +0.046 A ATOM 28 C LIG 1 0.987 1.539 -3.406 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -0.232 1.279 -2.769 0.00 0.00 +0.028 A BRANCH 26 30 ATOM 30 O LIG 1 3.311 -0.250 -1.195 0.00 0.00 -0.422 OA BRANCH 30 31 ATOM 31 C LIG 1 3.450 -1.615 -1.348 0.00 0.00 +0.347 C ATOM 32 O LIG 1 2.756 -2.391 -1.981 0.00 0.00 -0.244 OA BRANCH 31 33 ATOM 33 C LIG 1 4.679 -2.014 -0.645 0.00 0.00 +0.089 A ATOM 34 C LIG 1 4.868 -1.820 0.727 0.00 0.00 +0.140 A ATOM 35 C LIG 1 6.075 -2.171 1.345 0.00 0.00 +0.033 A ATOM 36 C LIG 1 7.092 -2.742 0.578 0.00 0.00 +0.002 A ATOM 37 C LIG 1 6.900 -2.966 -0.788 0.00 0.00 +0.001 A ATOM 38 C LIG 1 5.697 -2.607 -1.401 0.00 0.00 +0.017 A BRANCH 34 39 ATOM 39 N LIG 1 3.797 -1.299 1.559 0.00 0.00 +0.057 N ATOM 40 O LIG 1 4.089 -0.411 2.369 0.00 0.00 -0.126 OA ATOM 41 O LIG 1 2.668 -1.792 1.419 0.00 0.00 -0.126 OA ENDBRANCH 34 39 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 13 24 TORSDOF 6