REMARK Name = BDB019476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.529 -2.736 1.353 0.00 0.00 -0.222 N ATOM 2 C LIG 1 -1.640 -1.725 1.051 0.00 0.00 +0.073 A ATOM 3 C LIG 1 -0.406 -2.349 0.800 0.00 0.00 +0.017 A ATOM 4 C LIG 1 0.685 -1.516 0.453 0.00 0.00 +0.047 A ATOM 5 C LIG 1 0.523 -0.118 0.376 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -0.709 0.491 0.631 0.00 0.00 -0.014 A ATOM 7 C LIG 1 -0.605 -3.769 0.950 0.00 0.00 -0.023 A ATOM 8 C LIG 1 0.399 -4.856 0.776 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -1.801 -0.326 0.971 0.00 0.00 +0.036 A ATOM 10 C LIG 1 -1.929 -3.960 1.291 0.00 0.00 +0.116 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.859 1.952 0.557 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -0.412 2.693 -0.533 0.00 0.00 +0.121 A ATOM 13 N LIG 1 -0.522 4.040 -0.661 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -1.115 4.736 0.333 0.00 0.00 +0.121 A ATOM 15 C LIG 1 -1.578 4.076 1.472 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -1.455 2.688 1.581 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 N LIG 1 -1.231 6.138 0.237 0.00 0.00 -0.321 N ATOM 18 C LIG 1 -2.613 6.605 0.340 0.00 0.00 +0.130 C ATOM 19 C LIG 1 -0.496 6.692 -0.901 0.00 0.00 +0.130 C ENDBRANCH 14 17 ENDBRANCH 6 11 BRANCH 4 20 ATOM 20 C LIG 1 2.025 -2.074 0.181 0.00 0.00 +0.245 C ATOM 21 N LIG 1 2.556 -1.715 -1.036 0.00 0.00 -0.307 N ATOM 22 H LIG 1 2.053 -1.077 -1.642 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 2.597 -2.771 1.008 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 3.943 -1.944 -1.370 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 C LIG 1 4.740 -0.729 -0.993 0.00 0.00 +0.037 A ATOM 26 C LIG 1 4.470 0.479 -1.843 0.00 0.00 +0.254 A ATOM 27 O LIG 1 3.619 0.472 -2.729 0.00 0.00 -0.268 OA ATOM 28 N LIG 1 5.204 1.604 -1.568 0.00 0.00 -0.326 N ATOM 29 H LIG 1 5.003 2.408 -2.149 0.00 0.00 +0.169 HD ATOM 30 C LIG 1 6.132 1.698 -0.561 0.00 0.00 +0.016 A ATOM 31 C LIG 1 6.826 3.013 -0.392 0.00 0.00 +0.063 C ATOM 32 C LIG 1 6.363 0.628 0.213 0.00 0.00 +0.024 A ATOM 33 C LIG 1 5.653 -0.627 -0.001 0.00 0.00 -0.039 A ATOM 34 C LIG 1 6.022 -1.721 0.964 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 4 20 BRANCH 1 35 ATOM 35 S LIG 1 -4.201 -2.512 1.597 0.00 0.00 +0.061 S ATOM 36 O LIG 1 -4.743 -3.825 1.895 0.00 0.00 -0.152 OA ATOM 37 O LIG 1 -4.288 -1.435 2.568 0.00 0.00 -0.152 OA BRANCH 35 38 ATOM 38 C LIG 1 -4.985 -1.949 0.056 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -5.543 -0.544 0.080 0.00 0.00 +0.034 C ATOM 40 C LIG 1 -6.474 -1.720 0.199 0.00 0.00 +0.034 C BRANCH 38 41 ATOM 41 C LIG 1 -4.408 -2.533 -1.193 0.00 0.00 +0.058 C BRANCH 41 43 ATOM 42 C LIG 1 -3.628 -4.873 -1.673 0.00 0.00 +0.004 C ATOM 43 C LIG 1 -4.608 -4.010 -1.374 0.00 0.00 -0.032 C ENDBRANCH 41 43 ENDBRANCH 38 41 ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 9