REMARK Name = BDB036300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.903 1.250 -0.766 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.799 0.590 -1.986 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -1.890 0.160 -2.920 0.00 0.00 +0.036 C ATOM 4 C LIG 1 -1.145 -0.822 -3.836 0.00 0.00 +0.009 C ATOM 5 C LIG 1 0.315 -0.360 -3.879 0.00 0.00 +0.036 C ATOM 6 C LIG 1 0.454 0.290 -2.537 0.00 0.00 -0.044 A ATOM 7 C LIG 1 1.634 0.625 -1.890 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.569 1.264 -0.645 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.296 1.568 -0.103 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.226 1.615 -0.139 0.00 0.00 +0.145 C BRANCH 10 21 ATOM 11 C LIG 1 -5.366 0.575 0.994 0.00 0.00 +0.191 C ATOM 12 O LIG 1 -5.591 -0.151 2.213 0.00 0.00 -0.470 OA ATOM 13 C LIG 1 -4.745 -1.139 2.596 0.00 0.00 +0.242 A ATOM 14 C LIG 1 -3.373 -1.033 2.704 0.00 0.00 +0.167 A ATOM 15 C LIG 1 -2.631 -2.126 3.161 0.00 0.00 +0.035 A ATOM 16 C LIG 1 -3.295 -3.297 3.505 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -4.671 -3.322 3.375 0.00 0.00 +0.115 A ATOM 18 S LIG 1 -2.579 0.450 2.244 0.00 0.00 +0.066 S ATOM 19 O LIG 1 -1.155 0.289 2.462 0.00 0.00 -0.153 OA ATOM 20 O LIG 1 -3.276 1.566 2.844 0.00 0.00 -0.153 OA ATOM 21 N LIG 1 -2.851 0.467 0.567 0.00 0.00 -0.169 NA ATOM 22 N LIG 1 -5.402 -2.275 2.931 0.00 0.00 -0.220 NA ATOM 23 C LIG 1 -4.217 0.105 0.078 0.00 0.00 +0.154 C BRANCH 11 25 ATOM 24 C LIG 1 -7.160 -0.799 -0.244 0.00 0.00 +0.007 C ATOM 25 C LIG 1 -6.710 0.578 0.234 0.00 0.00 +0.042 C ENDBRANCH 11 25 ENDBRANCH 10 21 ENDBRANCH 1 10 BRANCH 8 26 ATOM 26 C LIG 1 2.818 1.666 0.141 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 3.903 0.570 0.163 0.00 0.00 -0.034 A ATOM 28 C LIG 1 5.036 0.496 -0.700 0.00 0.00 -0.017 A ATOM 29 C LIG 1 5.336 1.492 -1.785 0.00 0.00 +0.046 C ATOM 30 C LIG 1 5.929 -0.587 -0.505 0.00 0.00 +0.116 A ATOM 31 N LIG 1 7.097 -0.891 -1.162 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 7.591 -2.007 -0.643 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 6.748 -2.406 0.325 0.00 0.00 -0.247 N ATOM 34 C LIG 1 7.032 -3.614 1.053 0.00 0.00 +0.175 C ATOM 35 C LIG 1 5.686 -1.554 0.463 0.00 0.00 +0.089 A ATOM 36 C LIG 1 4.571 -1.532 1.294 0.00 0.00 +0.030 A ATOM 37 C LIG 1 3.695 -0.458 1.120 0.00 0.00 +0.007 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 3.290 3.087 -0.201 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 2.385 4.135 0.397 0.00 0.00 +0.306 C ATOM 40 O LIG 1 1.523 4.737 -0.225 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 2.614 4.362 1.711 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 3.344 3.839 2.096 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 26 38 ENDBRANCH 8 26 TORSDOF 8