REMARK Name = BDB024220 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.533 -1.704 -0.088 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.538 -1.935 -1.210 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -4.155 -3.191 -1.357 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -5.116 -3.403 -2.356 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -5.465 -2.368 -3.220 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -4.858 -1.118 -3.089 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.903 -0.902 -2.092 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.119 -1.285 -0.598 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.272 -0.991 0.458 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.680 -0.985 1.387 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.801 -1.266 -1.784 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.077 -0.657 0.435 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.617 -0.495 1.663 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 2.936 -0.186 1.741 0.00 0.00 +0.139 A ATOM 15 C LIG 1 3.763 -0.017 0.637 0.00 0.00 +0.066 A ATOM 16 C LIG 1 3.181 -0.180 -0.622 0.00 0.00 +0.031 A ATOM 17 C LIG 1 1.824 -0.507 -0.722 0.00 0.00 +0.046 A BRANCH 15 18 ATOM 18 N LIG 1 5.135 0.311 0.786 0.00 0.00 -0.304 N ATOM 19 C LIG 1 6.073 0.469 -0.219 0.00 0.00 +0.116 A ATOM 20 C LIG 1 7.269 0.784 0.398 0.00 0.00 +0.065 A ATOM 21 N LIG 1 7.085 0.827 1.762 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 5.817 0.544 1.962 0.00 0.00 +0.204 A BRANCH 20 23 ATOM 23 C LIG 1 8.640 1.032 -0.199 0.00 0.00 +0.006 C ATOM 24 C LIG 1 9.316 2.231 0.497 0.00 0.00 +0.017 C ATOM 25 C LIG 1 8.563 1.340 -1.706 0.00 0.00 +0.017 C ATOM 26 C LIG 1 9.515 -0.218 0.002 0.00 0.00 +0.017 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 -2.999 -0.674 0.882 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.330 0.123 0.334 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.087 -1.159 1.746 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -4.199 0.877 3.269 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -4.986 -0.022 2.304 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -5.717 0.711 1.179 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.727 0.037 0.471 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -7.395 0.650 -0.593 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -7.060 1.948 -0.973 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -6.067 2.635 -0.273 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.397 2.019 0.791 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -7.732 2.568 -2.078 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -8.277 3.068 -2.972 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10