REMARK Name = BDB013509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.283 0.082 3.313 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -1.177 -0.515 2.487 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.926 -0.111 1.163 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.138 -0.709 0.457 0.00 0.00 +0.009 A ATOM 5 C LIG 1 0.958 -1.702 1.027 0.00 0.00 -0.039 A ATOM 6 C LIG 1 0.679 -2.094 2.338 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.367 -1.507 3.057 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.740 0.959 0.456 0.00 0.00 +0.145 C BRANCH 8 9 ATOM 9 N LIG 1 -2.353 0.473 -0.807 0.00 0.00 -0.167 NA ATOM 10 S LIG 1 -2.592 1.649 -2.013 0.00 0.00 +0.082 S ATOM 11 O LIG 1 -3.138 0.968 -3.172 0.00 0.00 -0.151 OA ATOM 12 O LIG 1 -1.353 2.397 -2.102 0.00 0.00 -0.151 OA ATOM 13 C LIG 1 -3.867 2.736 -1.375 0.00 0.00 +0.236 A ATOM 14 C LIG 1 -4.817 2.341 -0.441 0.00 0.00 +0.166 A ATOM 15 C LIG 1 -5.665 3.336 0.050 0.00 0.00 +0.051 A ATOM 16 C LIG 1 -5.566 4.644 -0.419 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -4.602 4.930 -1.369 0.00 0.00 +0.113 A ATOM 18 O LIG 1 -5.019 1.111 0.112 0.00 0.00 -0.484 OA ATOM 19 C LIG 1 -4.841 0.002 -0.777 0.00 0.00 +0.186 C ATOM 20 C LIG 1 -5.858 -1.062 -0.366 0.00 0.00 +0.053 C ATOM 21 N LIG 1 -3.745 4.010 -1.853 0.00 0.00 -0.233 NA ATOM 22 C LIG 1 -3.417 -0.553 -0.640 0.00 0.00 +0.154 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 2.078 -2.305 0.171 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 3.113 -1.276 -0.318 0.00 0.00 -0.034 A ATOM 25 C LIG 1 3.583 -1.275 -1.664 0.00 0.00 -0.017 A ATOM 26 C LIG 1 3.067 -2.239 -2.695 0.00 0.00 +0.046 C ATOM 27 C LIG 1 4.555 -0.308 -2.013 0.00 0.00 +0.116 A ATOM 28 N LIG 1 5.183 -0.080 -3.213 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 6.019 0.936 -3.061 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 5.913 1.355 -1.787 0.00 0.00 -0.247 N ATOM 31 C LIG 1 6.703 2.473 -1.347 0.00 0.00 +0.175 C ATOM 32 C LIG 1 5.020 0.603 -1.073 0.00 0.00 +0.089 A ATOM 33 C LIG 1 4.580 0.624 0.248 0.00 0.00 +0.030 A ATOM 34 C LIG 1 3.625 -0.334 0.602 0.00 0.00 +0.007 A ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C LIG 1 2.758 -3.590 0.685 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 3.846 -3.376 1.704 0.00 0.00 +0.306 C ATOM 37 O LIG 1 3.759 -2.792 2.771 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 5.007 -3.961 1.347 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 5.624 -3.738 2.075 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 5 23 TORSDOF 7