REMARK Name = BDB060141 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.327 -1.318 -0.145 0.00 0.00 -0.192 N ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.019 -1.760 -0.572 0.00 0.00 +0.057 A ATOM 3 C LIG 1 1.099 -1.035 -0.177 0.00 0.00 -0.002 A ATOM 4 C LIG 1 1.164 0.237 0.599 0.00 0.00 +0.058 C ATOM 5 C LIG 1 2.617 0.649 0.326 0.00 0.00 +0.110 C ATOM 6 N LIG 1 3.385 -0.587 0.059 0.00 0.00 -0.325 N ATOM 7 C LIG 1 2.404 -1.468 -0.452 0.00 0.00 +0.035 A ATOM 8 C LIG 1 2.604 -2.674 -1.105 0.00 0.00 +0.023 A ATOM 9 C LIG 1 1.494 -3.434 -1.483 0.00 0.00 +0.004 A ATOM 10 C LIG 1 0.193 -2.989 -1.205 0.00 0.00 +0.025 A BRANCH 6 11 ATOM 11 C LIG 1 4.630 -0.470 -0.700 0.00 0.00 +0.140 C BRANCH 11 12 ATOM 12 C LIG 1 5.625 0.412 0.025 0.00 0.00 -0.029 A ATOM 13 C LIG 1 6.080 1.609 -0.550 0.00 0.00 +0.024 A ATOM 14 C LIG 1 7.002 2.417 0.128 0.00 0.00 +0.052 A ATOM 15 C LIG 1 7.477 2.029 1.385 0.00 0.00 +0.019 A ATOM 16 C LIG 1 7.030 0.841 1.964 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.111 0.039 1.288 0.00 0.00 +0.005 A BRANCH 14 18 ATOM 18 C LIG 1 7.457 3.640 -0.466 0.00 0.00 +0.099 C ATOM 19 N LIG 1 7.822 4.630 -0.948 0.00 0.00 -0.191 NA ENDBRANCH 14 18 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 S LIG 1 -2.555 -1.417 -1.346 0.00 0.00 +0.076 S ATOM 21 O LIG 1 -2.036 -0.911 -2.601 0.00 0.00 -0.150 OA ATOM 22 O LIG 1 -3.086 -2.764 -1.298 0.00 0.00 -0.150 OA BRANCH 20 28 ATOM 23 C LIG 1 -6.753 2.656 0.507 0.00 0.00 +0.044 C ATOM 24 C LIG 1 -5.718 1.654 0.087 0.00 0.00 -0.050 A ATOM 25 C LIG 1 -4.510 2.073 -0.469 0.00 0.00 +0.008 A ATOM 26 C LIG 1 -3.538 1.149 -0.895 0.00 0.00 -0.023 A ATOM 27 C LIG 1 -2.282 1.719 -1.502 0.00 0.00 +0.046 C ATOM 28 C LIG 1 -3.804 -0.242 -0.776 0.00 0.00 +0.115 A ATOM 29 C LIG 1 -5.042 -0.679 -0.243 0.00 0.00 -0.023 A ATOM 30 C LIG 1 -5.453 -2.120 -0.099 0.00 0.00 +0.046 C ATOM 31 C LIG 1 -5.977 0.286 0.182 0.00 0.00 +0.008 A ENDBRANCH 20 28 ENDBRANCH 1 20 BRANCH 1 32 ATOM 32 C LIG 1 -1.710 -1.839 1.204 0.00 0.00 +0.251 C BRANCH 32 33 ATOM 33 C LIG 1 -2.502 -0.863 2.033 0.00 0.00 +0.324 C ATOM 34 O LIG 1 -3.427 -1.149 2.778 0.00 0.00 -0.249 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.074 0.413 1.945 0.00 0.00 -0.479 OA ATOM 36 H LIG 1 -2.717 0.919 2.486 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 9