REMARK Name = BDB014756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.698 0.364 -0.118 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -0.267 -0.406 0.374 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.047 0.341 -0.260 0.00 0.00 +0.150 A ATOM 4 C LIG 1 -2.841 -0.718 0.260 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -2.468 -1.944 1.014 0.00 0.00 +0.148 C ATOM 6 N LIG 1 -3.672 -2.667 1.476 0.00 0.00 -0.297 N ATOM 7 C LIG 1 -4.859 -2.646 0.594 0.00 0.00 +0.114 C ATOM 8 C LIG 1 -5.327 -1.218 0.250 0.00 0.00 +0.074 C ATOM 9 C LIG 1 -3.615 -3.651 2.456 0.00 0.00 +0.213 C ATOM 10 O LIG 1 -4.551 -4.414 2.693 0.00 0.00 -0.276 OA ATOM 11 C LIG 1 -2.340 -3.752 3.257 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -4.136 -0.403 -0.088 0.00 0.00 +0.047 A ATOM 13 N LIG 1 -4.080 0.785 -0.746 0.00 0.00 -0.266 N ATOM 14 N LIG 1 -2.820 1.240 -0.879 0.00 0.00 -0.155 NA BRANCH 13 15 ATOM 15 C LIG 1 -5.184 1.559 -1.300 0.00 0.00 +0.147 C BRANCH 15 16 ATOM 16 C LIG 1 -5.851 2.409 -0.258 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -6.594 3.658 -0.661 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.298 3.768 0.093 0.00 0.00 +0.005 C ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 1 3 BRANCH 1 21 ATOM 19 C LIG 1 2.665 1.915 -0.631 0.00 0.00 -0.016 A ATOM 20 C LIG 1 1.630 1.035 -0.258 0.00 0.00 +0.031 A ATOM 21 C LIG 1 0.274 1.308 -0.527 0.00 0.00 +0.033 A ATOM 22 C LIG 1 -0.027 2.498 -1.193 0.00 0.00 +0.023 A ATOM 23 C LIG 1 0.981 3.388 -1.573 0.00 0.00 +0.002 A ATOM 24 C LIG 1 2.315 3.098 -1.294 0.00 0.00 +0.008 A BRANCH 19 27 ATOM 25 C LIG 1 5.982 0.058 -0.457 0.00 0.00 -0.019 A ATOM 26 C LIG 1 4.639 0.376 -0.734 0.00 0.00 +0.014 A ATOM 27 C LIG 1 4.072 1.598 -0.333 0.00 0.00 -0.017 A ATOM 28 C LIG 1 4.886 2.506 0.361 0.00 0.00 +0.008 A ATOM 29 C LIG 1 6.219 2.204 0.646 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.764 0.987 0.240 0.00 0.00 +0.006 A BRANCH 25 31 ATOM 31 C LIG 1 6.574 -1.265 -0.895 0.00 0.00 +0.144 C BRANCH 31 33 ATOM 32 C LIG 1 6.693 -3.758 -0.441 0.00 0.00 +0.007 C ATOM 33 C LIG 1 6.011 -2.441 -0.089 0.00 0.00 +0.033 C ENDBRANCH 31 33 BRANCH 31 34 ATOM 34 O LIG 1 6.321 -1.472 -2.284 0.00 0.00 -0.387 OA ATOM 35 H LIG 1 6.332 -0.597 -2.711 0.00 0.00 +0.210 HD ENDBRANCH 31 34 ENDBRANCH 25 31 ENDBRANCH 19 27 ENDBRANCH 1 21 TORSDOF 8