REMARK Name = BDB053570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.791 0.496 0.517 0.00 0.00 +0.125 A ATOM 2 C LIG 1 0.922 0.619 -0.576 0.00 0.00 -0.005 A ATOM 3 C LIG 1 1.450 0.961 -1.824 0.00 0.00 +0.009 A ATOM 4 C LIG 1 2.822 1.184 -1.984 0.00 0.00 +0.024 A ATOM 5 C LIG 1 3.715 1.065 -0.911 0.00 0.00 +0.048 A ATOM 6 C LIG 1 3.167 0.712 0.336 0.00 0.00 +0.070 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 5.122 1.287 -1.078 0.00 0.00 -0.202 N ATOM 8 C LIG 1 5.744 1.572 -2.280 0.00 0.00 +0.258 C ATOM 9 O LIG 1 5.317 1.694 -3.415 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 7.168 1.725 -2.008 0.00 0.00 +0.050 A ATOM 11 C LIG 1 7.361 1.530 -0.661 0.00 0.00 +0.050 A ATOM 12 C LIG 1 8.614 1.609 -0.082 0.00 0.00 +0.014 A ATOM 13 C LIG 1 9.694 1.896 -0.923 0.00 0.00 +0.001 A ATOM 14 C LIG 1 9.496 2.094 -2.305 0.00 0.00 +0.001 A ATOM 15 C LIG 1 8.218 2.009 -2.863 0.00 0.00 +0.014 A ATOM 16 C LIG 1 6.060 1.255 -0.061 0.00 0.00 +0.258 C ATOM 17 O LIG 1 5.963 1.059 1.137 0.00 0.00 -0.269 OA ENDBRANCH 5 7 BRANCH 1 18 ATOM 18 O LIG 1 1.202 0.138 1.702 0.00 0.00 -0.492 OA BRANCH 18 19 ATOM 19 C LIG 1 1.957 0.217 2.912 0.00 0.00 +0.229 C BRANCH 19 21 ATOM 20 C LIG 1 3.411 -1.079 4.510 0.00 0.00 +0.007 C ATOM 21 C LIG 1 2.621 -1.124 3.214 0.00 0.00 +0.038 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 2 22 ATOM 22 C LIG 1 -0.563 0.365 -0.443 0.00 0.00 +0.043 C BRANCH 22 23 ATOM 23 C LIG 1 -0.891 -1.130 -0.486 0.00 0.00 +0.040 C BRANCH 23 24 ATOM 24 C LIG 1 -2.373 -1.378 -0.350 0.00 0.00 -0.047 A ATOM 25 C LIG 1 -2.962 -1.461 0.917 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -4.336 -1.671 1.048 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -5.148 -1.797 -0.087 0.00 0.00 -0.047 A ATOM 28 C LIG 1 -4.557 -1.715 -1.354 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -3.183 -1.504 -1.484 0.00 0.00 +0.004 A BRANCH 27 30 ATOM 30 C LIG 1 -6.637 -2.008 0.056 0.00 0.00 +0.049 C BRANCH 30 31 ATOM 31 C LIG 1 -7.391 -0.738 0.495 0.00 0.00 +0.102 C BRANCH 31 32 ATOM 32 C LIG 1 -8.820 -1.099 0.865 0.00 0.00 +0.308 C ATOM 33 O LIG 1 -9.415 -2.091 0.475 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -9.400 -0.192 1.686 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -8.824 0.558 1.924 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 BRANCH 31 36 ATOM 36 C LIG 1 -7.378 0.408 -0.532 0.00 0.00 +0.011 C ATOM 37 C LIG 1 -7.995 0.070 -1.884 0.00 0.00 +0.004 C ENDBRANCH 31 36 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 12