REMARK Name = BDB003897 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -6.035 -0.495 -1.077 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -4.908 -0.179 -0.693 0.00 0.00 +0.219 C ATOM 3 N LIG 1 -3.865 -1.027 -0.933 0.00 0.00 -0.256 N ATOM 4 H LIG 1 -4.264 -1.707 -1.574 0.00 0.00 +0.157 HD ATOM 5 C LIG 1 -2.692 -0.557 -1.464 0.00 0.00 +0.225 C ATOM 6 O LIG 1 -2.486 -0.644 -2.671 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 -1.653 -0.024 -0.460 0.00 0.00 +0.050 C ATOM 8 C LIG 1 -0.332 0.245 -1.234 0.00 0.00 +0.035 C ATOM 9 C LIG 1 0.859 0.528 -0.326 0.00 0.00 +0.109 C ATOM 10 N LIG 1 1.032 -0.516 0.685 0.00 0.00 -0.297 N ATOM 11 C LIG 1 2.260 -0.691 1.342 0.00 0.00 +0.247 C ATOM 12 O LIG 1 2.353 -1.054 2.513 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -0.157 -0.840 1.464 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -1.360 -1.139 0.576 0.00 0.00 +0.035 C ATOM 15 C LIG 1 -2.139 1.290 0.194 0.00 0.00 +0.017 C ATOM 16 C LIG 1 -3.489 1.227 0.906 0.00 0.00 +0.010 C ATOM 17 C LIG 1 -4.651 1.171 -0.071 0.00 0.00 +0.096 C ENDROOT BRANCH 11 18 ATOM 18 C LIG 1 3.515 -0.458 0.590 0.00 0.00 +0.037 A ATOM 19 C LIG 1 3.721 -1.060 -0.658 0.00 0.00 +0.013 A ATOM 20 C LIG 1 4.922 -0.850 -1.337 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.917 -0.056 -0.764 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.721 0.522 0.491 0.00 0.00 +0.001 A ATOM 23 C LIG 1 4.522 0.316 1.175 0.00 0.00 +0.013 A ENDBRANCH 11 18 TORSDOF 1