REMARK Name = BDB036288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.192 1.509 1.845 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.707 0.917 2.991 0.00 0.00 -0.040 A ATOM 3 C LIG 1 1.992 1.200 3.712 0.00 0.00 +0.036 C ATOM 4 C LIG 1 1.742 0.530 5.070 0.00 0.00 +0.009 C ATOM 5 C LIG 1 0.796 -0.648 4.798 0.00 0.00 +0.036 C ATOM 6 C LIG 1 0.028 -0.134 3.619 0.00 0.00 -0.044 A ATOM 7 C LIG 1 -1.171 -0.622 3.134 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -1.737 -0.043 1.986 0.00 0.00 -0.039 A ATOM 9 C LIG 1 -1.043 1.025 1.367 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 0.910 2.595 1.084 0.00 0.00 +0.145 C BRANCH 10 21 ATOM 11 C LIG 1 4.018 1.644 -1.015 0.00 0.00 +0.189 C ATOM 12 O LIG 1 3.737 0.361 -1.585 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 2.673 0.251 -2.445 0.00 0.00 +0.147 A ATOM 14 C LIG 1 1.533 1.051 -2.595 0.00 0.00 +0.147 A ATOM 15 C LIG 1 0.533 0.681 -3.521 0.00 0.00 +0.032 A ATOM 16 C LIG 1 0.667 -0.465 -4.299 0.00 0.00 +0.002 A ATOM 17 C LIG 1 1.802 -1.256 -4.160 0.00 0.00 +0.004 A ATOM 18 S LIG 1 1.168 2.467 -1.596 0.00 0.00 +0.065 S ATOM 19 O LIG 1 1.971 3.578 -2.054 0.00 0.00 -0.153 OA ATOM 20 O LIG 1 -0.272 2.607 -1.556 0.00 0.00 -0.153 OA ATOM 21 N LIG 1 1.681 2.034 -0.055 0.00 0.00 -0.169 NA ATOM 22 C LIG 1 2.788 -0.903 -3.239 0.00 0.00 +0.047 A ATOM 23 C LIG 1 3.134 1.895 0.224 0.00 0.00 +0.154 C BRANCH 11 25 ATOM 24 C LIG 1 5.929 0.536 0.337 0.00 0.00 +0.007 C ATOM 25 C LIG 1 5.515 1.650 -0.622 0.00 0.00 +0.042 C ENDBRANCH 11 25 ENDBRANCH 10 21 ENDBRANCH 1 10 BRANCH 8 26 ATOM 26 C LIG 1 -3.089 -0.475 1.403 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -3.075 -0.749 -0.117 0.00 0.00 -0.034 A ATOM 28 C LIG 1 -2.222 -1.706 -0.755 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -1.155 -2.467 -0.025 0.00 0.00 +0.046 C ATOM 30 C LIG 1 -2.402 -1.905 -2.145 0.00 0.00 +0.116 A ATOM 31 N LIG 1 -1.753 -2.756 -3.013 0.00 0.00 -0.129 NA ATOM 32 N LIG 1 -2.279 -2.604 -4.222 0.00 0.00 -0.065 NA ATOM 33 N LIG 1 -3.247 -1.674 -4.120 0.00 0.00 -0.247 N ATOM 34 C LIG 1 -4.027 -1.320 -5.272 0.00 0.00 +0.175 C ATOM 35 C LIG 1 -3.363 -1.185 -2.846 0.00 0.00 +0.089 A ATOM 36 C LIG 1 -4.178 -0.221 -2.260 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -4.023 -0.028 -0.885 0.00 0.00 +0.007 A ENDBRANCH 26 27 BRANCH 26 38 ATOM 38 C LIG 1 -3.818 -1.642 2.101 0.00 0.00 +0.133 C BRANCH 38 39 ATOM 39 C LIG 1 -4.461 -1.230 3.397 0.00 0.00 +0.306 C ATOM 40 O LIG 1 -4.773 -0.107 3.755 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -4.737 -2.292 4.181 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -5.219 -1.911 4.945 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 26 38 ENDBRANCH 8 26 TORSDOF 8