REMARK Name = BDB055382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.598 -0.120 -0.755 0.00 0.00 +0.078 A ATOM 2 C LIG 1 0.454 0.743 -1.048 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.685 0.279 -0.521 0.00 0.00 +0.028 A ATOM 4 C LIG 1 1.532 -0.927 0.098 0.00 0.00 +0.090 A ATOM 5 N LIG 1 2.533 -1.643 0.689 0.00 0.00 -0.316 N ATOM 6 H LIG 1 2.363 -2.550 1.100 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 3.824 -1.151 0.663 0.00 0.00 +0.264 A ATOM 8 C LIG 1 4.035 0.201 0.033 0.00 0.00 +0.124 A ATOM 9 O LIG 1 4.745 -1.824 1.117 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 2.993 0.846 -0.537 0.00 0.00 +0.032 A ATOM 11 S LIG 1 -0.033 -1.524 0.073 0.00 0.00 -0.066 S ENDROOT BRANCH 2 12 ATOM 12 N LIG 1 0.306 1.895 -1.745 0.00 0.00 -0.356 N ATOM 13 H LIG 1 1.108 2.328 -2.196 0.00 0.00 +0.142 HD ATOM 14 H LIG 1 -0.533 1.999 -2.324 0.00 0.00 +0.142 HD ENDBRANCH 2 12 BRANCH 1 15 ATOM 15 C LIG 1 -1.992 0.037 -1.164 0.00 0.00 +0.177 C ATOM 16 O LIG 1 -2.253 0.474 -2.292 0.00 0.00 -0.291 OA BRANCH 15 18 ATOM 17 C LIG 1 -4.397 0.516 -0.647 0.00 0.00 +0.019 C ATOM 18 C LIG 1 -3.161 -0.300 -0.197 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.869 0.104 1.257 0.00 0.00 +0.019 C ATOM 20 C LIG 1 -3.525 -1.787 -0.293 0.00 0.00 +0.019 C ENDBRANCH 15 18 ENDBRANCH 1 15 BRANCH 8 21 ATOM 21 C LIG 1 5.334 0.884 -0.007 0.00 0.00 +0.342 C ATOM 22 O LIG 1 5.691 1.679 -0.862 0.00 0.00 -0.245 OA BRANCH 21 23 ATOM 23 O LIG 1 6.111 0.619 1.053 0.00 0.00 -0.477 OA ATOM 24 H LIG 1 6.936 1.120 0.897 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 8 21 TORSDOF 5