REMARK Name = BDB033646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.060 0.406 -1.337 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.062 0.076 -2.704 0.00 0.00 -0.046 A ATOM 3 C LIG 1 0.634 0.817 -3.814 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.856 -1.027 -3.070 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.549 -1.774 -2.116 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.464 -1.449 -0.758 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -0.672 -0.349 -0.393 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.912 1.546 -0.807 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 4.620 1.284 -0.949 0.00 0.00 +0.189 C ATOM 10 O LIG 1 4.642 2.172 0.186 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 4.825 1.498 1.357 0.00 0.00 +0.147 A ATOM 12 C LIG 1 3.852 0.714 1.970 0.00 0.00 +0.147 A ATOM 13 C LIG 1 4.130 0.078 3.192 0.00 0.00 +0.032 A ATOM 14 C LIG 1 5.370 0.251 3.806 0.00 0.00 +0.002 A ATOM 15 C LIG 1 6.331 1.064 3.208 0.00 0.00 +0.004 A ATOM 16 S LIG 1 2.234 0.476 1.303 0.00 0.00 +0.065 S ATOM 17 O LIG 1 1.321 1.219 2.147 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 2.080 -0.956 1.127 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 2.228 1.183 -0.232 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 6.057 1.690 1.990 0.00 0.00 +0.047 A ATOM 21 C LIG 1 3.225 0.662 -1.190 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 4.283 3.349 -2.451 0.00 0.00 +0.007 C ATOM 23 C LIG 1 5.109 2.099 -2.163 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -2.254 -2.264 0.266 0.00 0.00 +0.066 C BRANCH 24 25 ATOM 25 C LIG 1 -3.666 -1.721 0.435 0.00 0.00 -0.001 A ATOM 26 S LIG 1 -3.979 -0.240 1.227 0.00 0.00 -0.089 S ATOM 27 C LIG 1 -5.673 -0.366 1.009 0.00 0.00 +0.057 A ATOM 28 C LIG 1 -6.007 -1.527 0.318 0.00 0.00 -0.033 A ATOM 29 C LIG 1 -7.395 -1.944 -0.054 0.00 0.00 +0.045 C ATOM 30 C LIG 1 -4.840 -2.297 -0.006 0.00 0.00 +0.016 A BRANCH 27 31 ATOM 31 C LIG 1 -6.582 0.670 1.510 0.00 0.00 +0.167 C ATOM 32 O LIG 1 -7.800 0.639 1.309 0.00 0.00 -0.292 OA ATOM 33 C LIG 1 -6.013 1.826 2.302 0.00 0.00 +0.092 C ENDBRANCH 27 31 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 C LIG 1 -1.517 -2.458 1.602 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 -2.212 -3.467 2.467 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -2.834 -3.235 3.491 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.086 -4.731 2.017 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -2.568 -5.261 2.687 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 6 24 TORSDOF 9