REMARK Name = BDB035869 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.875 1.843 0.800 0.00 0.00 +0.065 A ATOM 2 C LIG 1 0.173 0.958 0.213 0.00 0.00 +0.266 A ATOM 3 O LIG 1 -0.033 -0.253 0.106 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 1.349 1.595 -0.172 0.00 0.00 -0.267 N ATOM 5 C LIG 1 1.496 2.963 0.021 0.00 0.00 +0.140 A ATOM 6 C LIG 1 2.784 3.572 -0.410 0.00 0.00 +0.047 A ATOM 7 C LIG 1 3.739 2.807 -0.953 0.00 0.00 +0.010 A ATOM 8 C LIG 1 3.542 1.383 -1.122 0.00 0.00 -0.017 A ATOM 9 N LIG 1 0.591 3.732 0.545 0.00 0.00 -0.237 NA ATOM 10 C LIG 1 2.373 0.842 -0.738 0.00 0.00 +0.101 A ATOM 11 C LIG 1 -0.584 3.145 0.917 0.00 0.00 +0.127 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.285 0.163 0.604 0.00 0.00 -0.033 A ATOM 13 C LIG 1 -3.048 0.759 0.264 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -2.180 1.315 1.218 0.00 0.00 -0.011 A ATOM 15 C LIG 1 -2.564 1.324 2.560 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -3.783 0.769 2.935 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.620 0.194 1.973 0.00 0.00 +0.004 A BRANCH 12 21 ATOM 18 C LIG 1 -7.878 0.999 0.370 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -7.329 0.036 -0.670 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -6.048 0.482 -1.403 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.207 -0.522 -0.536 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -6.564 -1.199 -0.150 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -4.328 -1.511 -1.425 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -3.508 -2.518 -0.990 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -3.254 -2.938 0.360 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -2.949 -3.056 -2.108 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -3.410 -2.441 -3.171 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -4.275 -1.463 -2.741 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 8 29 ATOM 29 C LIG 1 4.642 0.561 -1.754 0.00 0.00 +0.121 C BRANCH 29 30 ATOM 30 N LIG 1 5.342 -0.300 -0.791 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 6.200 0.436 0.138 0.00 0.00 +0.088 C ATOM 32 C LIG 1 6.640 -0.485 1.298 0.00 0.00 +0.000 C ATOM 33 C LIG 1 5.601 -0.508 2.422 0.00 0.00 +0.009 C ATOM 34 C LIG 1 6.931 -1.922 0.823 0.00 0.00 +0.006 C ATOM 35 C LIG 1 7.247 -1.950 -0.666 0.00 0.00 +0.016 C ATOM 36 C LIG 1 6.098 -1.355 -1.491 0.00 0.00 +0.085 C ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 5