REMARK Name = BDB049493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 0.033 -0.085 -0.981 0.00 0.00 +0.186 C ENDROOT BRANCH 1 4 ATOM 2 O LIG 1 1.933 -0.033 1.096 0.00 0.00 -0.276 OA ATOM 3 C LIG 1 2.195 0.562 0.056 0.00 0.00 +0.215 C ATOM 4 N LIG 1 1.322 0.616 -1.004 0.00 0.00 -0.302 N ATOM 5 H LIG 1 1.549 1.155 -1.834 0.00 0.00 +0.150 HD BRANCH 3 6 ATOM 6 C LIG 1 3.461 1.370 -0.158 0.00 0.00 +0.108 C BRANCH 6 7 ATOM 7 C LIG 1 4.652 0.810 0.644 0.00 0.00 +0.058 C BRANCH 7 8 ATOM 8 C LIG 1 5.124 -0.513 0.038 0.00 0.00 -0.040 A ATOM 9 C LIG 1 4.774 -1.725 0.656 0.00 0.00 +0.004 A ATOM 10 C LIG 1 5.173 -2.946 0.111 0.00 0.00 +0.000 A ATOM 11 C LIG 1 5.927 -2.975 -1.060 0.00 0.00 +0.000 A ATOM 12 C LIG 1 6.279 -1.782 -1.688 0.00 0.00 +0.000 A ATOM 13 C LIG 1 5.878 -0.560 -1.145 0.00 0.00 +0.004 A ENDBRANCH 7 8 BRANCH 7 14 ATOM 14 C LIG 1 5.805 1.802 0.830 0.00 0.00 -0.040 A ATOM 15 C LIG 1 6.684 1.618 1.912 0.00 0.00 +0.004 A ATOM 16 C LIG 1 7.757 2.486 2.122 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.972 3.550 1.251 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.118 3.743 0.168 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.044 2.874 -0.044 0.00 0.00 +0.004 A ENDBRANCH 7 14 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 -0.385 -0.279 -2.434 0.00 0.00 +0.326 C ATOM 21 O LIG 1 -0.168 0.506 -3.347 0.00 0.00 -0.249 OA BRANCH 20 22 ATOM 22 OXT LIG 1 -1.038 -1.433 -2.665 0.00 0.00 -0.479 OA ATOM 23 HXT LIG 1 -1.242 -1.423 -3.622 0.00 0.00 +0.295 HD ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 24 ATOM 24 C LIG 1 -1.022 0.733 -0.225 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 -2.291 -0.034 0.058 0.00 0.00 -0.045 A ATOM 26 C LIG 1 -2.311 -1.025 1.046 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -3.483 -1.739 1.303 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -4.649 -1.483 0.577 0.00 0.00 +0.121 A ATOM 29 C LIG 1 -4.637 -0.488 -0.398 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -3.465 0.231 -0.659 0.00 0.00 +0.007 A BRANCH 28 31 ATOM 31 O LIG 1 -5.725 -2.246 0.938 0.00 0.00 -0.487 OA BRANCH 31 32 ATOM 32 C LIG 1 -6.844 -2.295 0.048 0.00 0.00 +0.264 C BRANCH 32 33 ATOM 33 C LIG 1 -7.859 -1.199 0.286 0.00 0.00 -0.010 A ATOM 34 C LIG 1 -8.690 -0.780 -0.765 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -9.652 0.210 -0.558 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -9.802 0.785 0.702 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.994 0.368 1.757 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -8.033 -0.623 1.553 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 12