REMARK Name = BDB013466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.204 -2.957 1.707 0.00 0.00 +0.044 C ATOM 2 C LIG 1 0.895 -2.351 1.281 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.803 -1.446 0.206 0.00 0.00 -0.028 A ATOM 4 C LIG 1 -0.463 -0.944 -0.156 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -1.624 -1.266 0.559 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.511 -2.155 1.633 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.271 -2.692 1.985 0.00 0.00 +0.004 A ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 2.005 -1.000 -0.609 0.00 0.00 +0.144 C BRANCH 8 9 ATOM 9 N LIG 1 2.049 0.468 -0.834 0.00 0.00 -0.171 NA ATOM 10 S LIG 1 2.948 0.982 -2.179 0.00 0.00 +0.063 S ATOM 11 O LIG 1 2.865 2.424 -2.290 0.00 0.00 -0.153 OA ATOM 12 O LIG 1 2.528 0.151 -3.293 0.00 0.00 -0.153 OA ATOM 13 C LIG 1 4.619 0.527 -1.776 0.00 0.00 +0.126 A ATOM 14 C LIG 1 5.259 1.055 -0.641 0.00 0.00 +0.056 A ATOM 15 C LIG 1 6.601 0.677 -0.441 0.00 0.00 +0.025 A ATOM 16 C LIG 1 7.267 -0.189 -1.316 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.608 -0.703 -2.424 0.00 0.00 +0.002 A ATOM 18 N LIG 1 4.603 1.900 0.261 0.00 0.00 -0.330 N ATOM 19 C LIG 1 5.392 2.909 0.964 0.00 0.00 +0.129 C ATOM 20 C LIG 1 3.555 1.241 1.062 0.00 0.00 +0.122 C ATOM 21 C LIG 1 5.285 -0.344 -2.658 0.00 0.00 +0.030 A ATOM 22 C LIG 1 2.177 1.306 0.391 0.00 0.00 +0.128 C ENDBRANCH 8 9 ENDBRANCH 3 8 BRANCH 5 23 ATOM 23 C LIG 1 -2.983 -0.678 0.182 0.00 0.00 +0.060 C BRANCH 23 24 ATOM 24 C LIG 1 -2.956 0.865 0.165 0.00 0.00 -0.034 A ATOM 25 C LIG 1 -3.138 1.611 1.370 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -3.413 0.947 2.691 0.00 0.00 +0.046 C ATOM 27 C LIG 1 -3.042 3.020 1.290 0.00 0.00 +0.116 A ATOM 28 N LIG 1 -3.168 3.972 2.273 0.00 0.00 -0.129 NA ATOM 29 N LIG 1 -2.988 5.165 1.724 0.00 0.00 -0.065 NA ATOM 30 N LIG 1 -2.744 4.972 0.416 0.00 0.00 -0.247 N ATOM 31 C LIG 1 -2.498 6.108 -0.432 0.00 0.00 +0.175 C ATOM 32 C LIG 1 -2.776 3.646 0.080 0.00 0.00 +0.089 A ATOM 33 C LIG 1 -2.598 2.948 -1.112 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -2.693 1.554 -1.040 0.00 0.00 +0.007 A ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C LIG 1 -3.513 -1.310 -1.120 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 -3.823 -2.776 -0.957 0.00 0.00 +0.308 C ATOM 37 O LIG 1 -3.333 -3.665 -1.641 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.771 -2.975 -0.002 0.00 0.00 -0.462 OA BRANCH 38 39 ATOM 39 C LIG 1 -5.134 -4.345 0.273 0.00 0.00 +0.260 C BRANCH 39 40 ATOM 40 C LIG 1 -5.984 -4.949 -0.847 0.00 0.00 +0.197 C BRANCH 40 41 ATOM 41 O LIG 1 -5.182 -5.586 -1.839 0.00 0.00 -0.392 OA ATOM 42 H LIG 1 -4.407 -5.010 -2.016 0.00 0.00 +0.210 HD ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 5 23 TORSDOF 10