REMARK Name = BDB031714 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.084 0.467 -2.757 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.099 1.375 -1.681 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.962 1.477 -0.873 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.800 0.751 -1.096 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.098 1.150 -0.055 0.00 0.00 +0.154 A ATOM 6 N LIG 1 0.486 2.030 0.764 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.763 -0.128 -2.194 0.00 0.00 +0.014 A ATOM 8 N LIG 1 1.700 2.229 0.237 0.00 0.00 -0.275 N ATOM 9 H LIG 1 2.315 2.889 0.697 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.903 -0.253 -3.004 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.655 -1.435 0.595 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.108 -1.237 -0.679 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.882 -0.624 -1.657 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.619 -0.238 -3.086 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.306 0.292 -3.631 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.924 0.369 -3.548 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.794 0.331 -2.473 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.740 0.676 -2.524 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.142 0.806 -4.665 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.794 -1.096 -4.000 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.200 -0.250 -1.350 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.778 -0.452 -0.116 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.984 -1.053 0.863 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.593 -2.161 1.526 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.001 -1.996 1.659 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.342 0.629 0.047 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.669 0.004 -0.680 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.454 1.076 0.807 0.00 0.00 +0.172 A ATOM 29 C LIG 1 -3.567 0.238 0.878 0.00 0.00 +0.200 A ATOM 30 C LIG 1 -4.669 0.675 1.618 0.00 0.00 +0.169 A ATOM 31 N LIG 1 -4.611 1.829 2.309 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 -3.485 2.558 2.220 0.00 0.00 +0.130 A ATOM 33 C LIG 1 -3.441 3.856 2.963 0.00 0.00 +0.088 C ATOM 34 N LIG 1 -2.418 2.237 1.478 0.00 0.00 -0.214 NA BRANCH 30 35 ATOM 35 N LIG 1 -5.864 -0.084 1.661 0.00 0.00 -0.308 N ATOM 36 C LIG 1 -6.779 0.333 2.749 0.00 0.00 +0.134 C ATOM 37 C LIG 1 -8.014 -0.582 2.751 0.00 0.00 +0.178 C ATOM 38 O LIG 1 -8.696 -0.544 1.486 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -7.813 -0.960 0.431 0.00 0.00 +0.178 C ATOM 40 C LIG 1 -6.560 -0.070 0.352 0.00 0.00 +0.134 C ENDBRANCH 30 35 BRANCH 29 41 ATOM 41 O LIG 1 -3.524 -0.952 0.184 0.00 0.00 -0.489 OA ATOM 42 C LIG 1 -3.576 -2.064 1.082 0.00 0.00 +0.277 C ENDBRANCH 29 41 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6