REMARK Name = BDB013495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.833 -2.773 -3.054 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.050 -1.867 -2.140 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.681 -0.906 -1.325 0.00 0.00 -0.028 A ATOM 4 C LIG 1 0.107 -0.098 -0.485 0.00 0.00 +0.009 A ATOM 5 C LIG 1 1.501 -0.249 -0.413 0.00 0.00 -0.043 A ATOM 6 C LIG 1 2.110 -1.216 -1.219 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.344 -2.011 -2.073 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.189 -0.730 -1.305 0.00 0.00 +0.145 C BRANCH 8 9 ATOM 9 N LIG 1 -2.912 -1.893 -0.754 0.00 0.00 -0.169 NA ATOM 10 S LIG 1 -4.492 -2.146 -1.298 0.00 0.00 +0.065 S ATOM 11 O LIG 1 -4.507 -1.863 -2.720 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 -4.965 -3.418 -0.799 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 -5.394 -0.866 -0.489 0.00 0.00 +0.147 A ATOM 14 C LIG 1 -5.431 -0.808 0.900 0.00 0.00 +0.147 A ATOM 15 C LIG 1 -6.224 0.155 1.528 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -6.931 1.089 0.770 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -6.865 1.051 -0.622 0.00 0.00 +0.002 A ATOM 18 O LIG 1 -4.783 -1.690 1.713 0.00 0.00 -0.486 OA ATOM 19 C LIG 1 -3.352 -1.549 1.762 0.00 0.00 +0.186 C ATOM 20 C LIG 1 -2.868 -0.123 2.031 0.00 0.00 +0.053 C ATOM 21 C LIG 1 -6.103 0.069 -1.256 0.00 0.00 +0.032 A ATOM 22 C LIG 1 -2.611 -2.301 0.642 0.00 0.00 +0.154 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 2.290 0.578 0.597 0.00 0.00 +0.030 C BRANCH 23 24 ATOM 24 C LIG 1 2.623 -0.290 1.821 0.00 0.00 +0.128 C BRANCH 24 25 ATOM 25 C LIG 1 1.376 -0.621 2.606 0.00 0.00 +0.305 C ATOM 26 O LIG 1 0.887 0.123 3.443 0.00 0.00 -0.251 OA BRANCH 25 27 ATOM 27 O LIG 1 0.810 -1.802 2.273 0.00 0.00 -0.481 OA ATOM 28 H LIG 1 1.248 -2.246 1.519 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 BRANCH 23 29 ATOM 29 C LIG 1 3.552 1.198 -0.040 0.00 0.00 +0.015 C BRANCH 29 30 ATOM 30 C LIG 1 4.136 2.349 0.789 0.00 0.00 +0.059 C BRANCH 30 31 ATOM 31 C LIG 1 5.347 2.932 0.153 0.00 0.00 +0.083 A ATOM 32 N LIG 1 6.544 2.338 0.254 0.00 0.00 -0.157 NA ATOM 33 N LIG 1 7.327 3.182 -0.449 0.00 0.00 -0.186 N ATOM 34 C LIG 1 8.741 2.949 -0.597 0.00 0.00 +0.197 C ATOM 35 N LIG 1 6.744 4.268 -0.995 0.00 0.00 -0.161 NA ATOM 36 C LIG 1 5.475 4.109 -0.609 0.00 0.00 +0.159 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 5 23 TORSDOF 9