REMARK Name = BDB036363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.150 0.666 0.385 0.00 0.00 -0.039 A ATOM 2 C LIG 1 1.282 2.023 0.720 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.571 3.032 0.026 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -0.289 2.650 -1.008 0.00 0.00 +0.024 A ATOM 5 S LIG 1 -1.087 4.037 -1.673 0.00 0.00 -0.096 S ATOM 6 C LIG 1 -0.284 5.112 -0.627 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -0.437 1.293 -1.397 0.00 0.00 -0.019 A ATOM 8 C LIG 1 0.566 4.454 0.228 0.00 0.00 +0.016 A ATOM 9 C LIG 1 0.331 0.334 -0.696 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 1.883 -0.374 1.239 0.00 0.00 +0.060 C BRANCH 10 23 ATOM 11 C LIG 1 3.973 -0.057 3.408 0.00 0.00 +0.046 C ATOM 12 C LIG 1 4.356 -0.276 1.973 0.00 0.00 -0.023 A ATOM 13 C LIG 1 5.696 -0.336 1.597 0.00 0.00 +0.068 A ATOM 14 N LIG 1 6.848 -0.234 2.423 0.00 0.00 -0.262 N ATOM 15 H LIG 1 6.777 -0.911 3.183 0.00 0.00 +0.168 HD ATOM 16 N LIG 1 7.989 -0.470 1.571 0.00 0.00 -0.161 NA ATOM 17 H LIG 1 8.618 0.338 1.654 0.00 0.00 +0.168 HD ATOM 18 N LIG 1 7.509 -0.514 0.214 0.00 0.00 -0.252 N ATOM 19 C LIG 1 8.121 -1.464 -0.703 0.00 0.00 +0.151 C ATOM 20 C LIG 1 6.105 -0.515 0.271 0.00 0.00 +0.068 A ATOM 21 C LIG 1 5.177 -0.659 -0.737 0.00 0.00 +0.026 A ATOM 22 C LIG 1 3.822 -0.613 -0.396 0.00 0.00 +0.006 A ATOM 23 C LIG 1 3.390 -0.412 0.944 0.00 0.00 -0.035 A ENDBRANCH 10 23 BRANCH 10 24 ATOM 24 C LIG 1 1.324 -1.810 1.204 0.00 0.00 +0.133 C BRANCH 24 25 ATOM 25 C LIG 1 -0.093 -1.863 1.712 0.00 0.00 +0.306 C ATOM 26 O LIG 1 -0.514 -1.331 2.725 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 -0.882 -2.599 0.904 0.00 0.00 -0.481 OA ATOM 28 H LIG 1 -1.816 -2.466 1.216 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 10 24 ENDBRANCH 1 10 BRANCH 7 29 ATOM 29 C LIG 1 -1.426 0.828 -2.455 0.00 0.00 +0.121 C BRANCH 29 30 ATOM 30 N LIG 1 -2.748 0.585 -1.868 0.00 0.00 -0.286 NA ATOM 31 C LIG 1 -2.907 -0.762 -1.293 0.00 0.00 +0.107 C ATOM 32 C LIG 1 -3.257 -1.878 -2.288 0.00 0.00 +0.031 C ATOM 33 C LIG 1 -3.817 -0.812 -0.070 0.00 0.00 +0.103 A ATOM 34 C LIG 1 -4.840 0.106 0.175 0.00 0.00 +0.144 A ATOM 35 C LIG 1 -5.541 0.016 1.379 0.00 0.00 +0.053 A ATOM 36 C LIG 1 -5.231 -0.984 2.295 0.00 0.00 +0.070 A ATOM 37 C LIG 1 -4.218 -1.859 1.964 0.00 0.00 +0.213 A ATOM 38 O LIG 1 -5.200 1.156 -0.628 0.00 0.00 -0.483 OA ATOM 39 C LIG 1 -5.193 0.895 -2.049 0.00 0.00 +0.124 C ATOM 40 C LIG 1 -6.378 1.510 -2.768 0.00 0.00 +0.053 C ATOM 41 C LIG 1 -6.302 0.025 -2.604 0.00 0.00 +0.053 C ATOM 42 N LIG 1 -3.513 -1.808 0.822 0.00 0.00 -0.213 NA ATOM 43 C LIG 1 -3.845 1.008 -2.730 0.00 0.00 +0.133 C BRANCH 37 44 ATOM 44 O LIG 1 -3.827 -2.854 2.805 0.00 0.00 -0.492 OA ATOM 45 H LIG 1 -4.253 -2.702 3.662 0.00 0.00 +0.294 HD ENDBRANCH 37 44 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 8