REMARK Name = BDB015548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.385 -1.365 -0.547 0.00 0.00 +0.145 A ATOM 2 N LIG 1 0.523 -0.131 -1.032 0.00 0.00 -0.178 NA ATOM 3 C LIG 1 -0.409 0.753 -0.645 0.00 0.00 +0.326 A ATOM 4 N LIG 1 -1.419 0.491 0.199 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.483 -0.761 0.689 0.00 0.00 +0.082 A ATOM 6 C LIG 1 -0.591 -1.751 0.334 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.593 -1.045 1.623 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -4.037 -0.997 1.295 0.00 0.00 -0.002 A ATOM 9 C LIG 1 -4.988 -1.330 2.272 0.00 0.00 +0.047 A ATOM 10 C LIG 1 -6.359 -1.315 1.977 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -6.796 -0.960 0.702 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.864 -0.620 -0.276 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -4.543 -1.710 3.638 0.00 0.00 +0.259 A ATOM 14 O LIG 1 -5.380 -2.007 4.488 0.00 0.00 -0.267 OA ATOM 15 N LIG 1 -3.166 -1.706 3.864 0.00 0.00 -0.317 N ATOM 16 C LIG 1 -2.666 -2.048 5.189 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -4.496 -0.640 0.017 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -2.250 -1.377 2.881 0.00 0.00 +0.099 A ENDBRANCH 5 7 BRANCH 1 19 ATOM 19 N LIG 1 1.396 -2.260 -0.960 0.00 0.00 -0.204 N ATOM 20 H LIG 1 1.129 -3.240 -1.033 0.00 0.00 +0.175 HD BRANCH 19 21 ATOM 21 S LIG 1 2.840 -2.141 -0.107 0.00 0.00 +0.044 S ATOM 22 O LIG 1 2.539 -1.776 1.259 0.00 0.00 -0.155 OA ATOM 23 O LIG 1 3.536 -3.378 -0.399 0.00 0.00 -0.155 OA BRANCH 21 24 ATOM 24 C LIG 1 3.691 -0.804 -0.957 0.00 0.00 +0.188 C BRANCH 24 25 ATOM 25 C LIG 1 5.134 -0.645 -0.478 0.00 0.00 +0.024 C BRANCH 25 27 ATOM 26 C LIG 1 4.661 0.692 1.647 0.00 0.00 +0.004 C ATOM 27 C LIG 1 5.386 0.645 0.311 0.00 0.00 -0.002 C ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 3 28 ATOM 28 O LIG 1 -0.380 2.053 -1.139 0.00 0.00 -0.423 OA BRANCH 28 29 ATOM 29 C LIG 1 0.463 2.273 -2.207 0.00 0.00 +0.138 A ATOM 30 C LIG 1 1.694 2.914 -1.974 0.00 0.00 -0.008 A ATOM 31 C LIG 1 2.096 3.345 -0.594 0.00 0.00 +0.047 C ATOM 32 C LIG 1 2.558 3.127 -3.056 0.00 0.00 +0.007 A ATOM 33 C LIG 1 2.189 2.738 -4.344 0.00 0.00 +0.001 A ATOM 34 C LIG 1 0.948 2.142 -4.570 0.00 0.00 +0.007 A ATOM 35 C LIG 1 0.059 1.922 -3.509 0.00 0.00 -0.008 A ATOM 36 C LIG 1 -1.273 1.280 -3.779 0.00 0.00 +0.047 C ENDBRANCH 28 29 ENDBRANCH 3 28 TORSDOF 8