REMARK Name = BDB049202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.443 0.258 0.128 0.00 0.00 -0.010 A ATOM 2 C LIG 1 2.477 -1.054 0.472 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.330 -1.714 1.000 0.00 0.00 +0.139 A ATOM 4 N LIG 1 0.163 -0.969 1.133 0.00 0.00 -0.299 N ATOM 5 C LIG 1 -0.802 -1.822 1.643 0.00 0.00 +0.073 A ATOM 6 C LIG 1 -0.141 -3.026 1.815 0.00 0.00 +0.139 A ATOM 7 C LIG 1 0.095 0.384 0.805 0.00 0.00 +0.094 A ATOM 8 N LIG 1 1.165 -2.953 1.411 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 1.185 1.002 0.319 0.00 0.00 +0.027 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -2.184 -1.465 1.932 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -3.053 -1.089 0.900 0.00 0.00 +0.056 A ATOM 12 C LIG 1 -4.378 -0.742 1.183 0.00 0.00 +0.134 A ATOM 13 C LIG 1 -4.857 -0.813 2.495 0.00 0.00 +0.078 A ATOM 14 C LIG 1 -3.993 -1.198 3.529 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -2.663 -1.522 3.246 0.00 0.00 +0.011 A BRANCH 13 16 ATOM 16 C LIG 1 -6.258 -0.460 2.822 0.00 0.00 +0.245 C ATOM 17 O LIG 1 -6.787 0.566 2.419 0.00 0.00 -0.270 OA ATOM 18 N LIG 1 -6.928 -1.349 3.619 0.00 0.00 -0.325 N ATOM 19 H LIG 1 -6.597 -2.297 3.738 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -7.921 -1.184 3.725 0.00 0.00 +0.145 HD ENDBRANCH 13 16 BRANCH 12 21 ATOM 21 O LIG 1 -5.214 -0.460 0.136 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 -5.061 0.901 -0.282 0.00 0.00 +0.264 C BRANCH 22 23 ATOM 23 C LIG 1 -6.080 1.181 -1.357 0.00 0.00 -0.010 A ATOM 24 C LIG 1 -7.399 1.508 -1.009 0.00 0.00 +0.007 A ATOM 25 C LIG 1 -8.352 1.757 -1.997 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -7.999 1.675 -3.342 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -6.695 1.335 -3.701 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.740 1.085 -2.714 0.00 0.00 +0.007 A ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 5 10 BRANCH 1 32 ATOM 29 N LIG 1 5.660 1.494 -0.925 0.00 0.00 -0.270 N ATOM 30 N LIG 1 4.901 2.420 -1.552 0.00 0.00 -0.179 NA ATOM 31 C LIG 1 3.650 2.064 -1.251 0.00 0.00 +0.142 A ATOM 32 C LIG 1 3.592 0.931 -0.411 0.00 0.00 +0.020 A ATOM 33 C LIG 1 4.915 0.597 -0.211 0.00 0.00 +0.116 A BRANCH 29 34 ATOM 34 C LIG 1 7.101 1.606 -1.038 0.00 0.00 +0.158 C BRANCH 34 35 ATOM 35 C LIG 1 7.950 0.459 -0.460 0.00 0.00 +0.107 C BRANCH 35 37 ATOM 36 C LIG 1 8.082 -0.921 -2.473 0.00 0.00 +0.104 C ATOM 37 N LIG 1 7.739 -0.877 -1.050 0.00 0.00 -0.307 NA ATOM 38 C LIG 1 8.516 -1.883 -0.319 0.00 0.00 +0.104 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 1 32 TORSDOF 9