REMARK Name = BDB036287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.267 0.957 -1.347 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.002 -0.153 -2.139 0.00 0.00 -0.040 A ATOM 3 C LIG 1 0.801 -0.707 -3.280 0.00 0.00 +0.036 C ATOM 4 C LIG 1 0.195 -2.109 -3.427 0.00 0.00 +0.009 C ATOM 5 C LIG 1 -1.262 -2.008 -2.963 0.00 0.00 +0.036 C ATOM 6 C LIG 1 -1.171 -0.900 -1.960 0.00 0.00 -0.044 A ATOM 7 C LIG 1 -2.098 -0.572 -0.983 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -1.861 0.542 -0.165 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -0.683 1.300 -0.367 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 1.541 1.756 -1.492 0.00 0.00 +0.145 C BRANCH 10 22 ATOM 11 C LIG 1 3.735 1.514 1.186 0.00 0.00 +0.191 C ATOM 12 O LIG 1 5.158 1.368 1.048 0.00 0.00 -0.470 OA ATOM 13 C LIG 1 5.676 0.514 0.128 0.00 0.00 +0.242 A ATOM 14 C LIG 1 5.376 0.504 -1.218 0.00 0.00 +0.167 A ATOM 15 C LIG 1 6.033 -0.394 -2.061 0.00 0.00 +0.036 A ATOM 16 C LIG 1 6.982 -1.255 -1.521 0.00 0.00 +0.025 A ATOM 17 C LIG 1 7.239 -1.189 -0.157 0.00 0.00 +0.042 A ATOM 18 C LIG 1 8.258 -2.096 0.464 0.00 0.00 +0.066 C ATOM 19 S LIG 1 4.164 1.587 -1.846 0.00 0.00 +0.066 S ATOM 20 O LIG 1 4.411 2.924 -1.355 0.00 0.00 -0.153 OA ATOM 21 O LIG 1 4.029 1.351 -3.269 0.00 0.00 -0.153 OA ATOM 22 N LIG 1 2.756 0.987 -1.116 0.00 0.00 -0.169 NA ATOM 23 N LIG 1 6.601 -0.319 0.662 0.00 0.00 -0.216 NA ATOM 24 C LIG 1 2.827 0.606 0.333 0.00 0.00 +0.154 C BRANCH 11 26 ATOM 25 C LIG 1 3.699 -0.041 3.239 0.00 0.00 +0.007 C ATOM 26 C LIG 1 3.420 1.353 2.688 0.00 0.00 +0.042 C ENDBRANCH 11 26 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 8 27 ATOM 27 C LIG 1 -2.803 0.938 0.975 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 -4.269 0.502 0.785 0.00 0.00 -0.034 A ATOM 29 C LIG 1 -5.133 1.227 -0.095 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -4.667 2.439 -0.857 0.00 0.00 +0.046 C ATOM 31 C LIG 1 -6.465 0.772 -0.235 0.00 0.00 +0.116 A ATOM 32 N LIG 1 -7.496 1.272 -0.992 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 -8.563 0.509 -0.801 0.00 0.00 -0.065 NA ATOM 34 N LIG 1 -8.213 -0.461 0.062 0.00 0.00 -0.247 N ATOM 35 C LIG 1 -9.190 -1.443 0.448 0.00 0.00 +0.175 C ATOM 36 C LIG 1 -6.906 -0.349 0.455 0.00 0.00 +0.089 A ATOM 37 C LIG 1 -6.087 -1.084 1.308 0.00 0.00 +0.030 A ATOM 38 C LIG 1 -4.769 -0.636 1.453 0.00 0.00 +0.007 A ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 C LIG 1 -2.188 0.676 2.370 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 -1.220 -0.473 2.453 0.00 0.00 +0.306 C ATOM 41 O LIG 1 -0.008 -0.372 2.571 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 -1.801 -1.683 2.421 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 -1.046 -2.308 2.450 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 27 39 ENDBRANCH 8 27 TORSDOF 8