REMARK Name = BDB000859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.841 1.975 0.689 0.00 0.00 +0.159 C ATOM 2 C LIG 1 -0.657 2.056 0.330 0.00 0.00 +0.237 C ATOM 3 O LIG 1 -1.492 1.877 1.230 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -1.087 2.228 -0.970 0.00 0.00 -0.285 N ATOM 5 C LIG 1 -0.364 2.740 -2.144 0.00 0.00 +0.077 C ATOM 6 C LIG 1 -1.404 2.636 -3.272 0.00 0.00 +0.025 C ATOM 7 C LIG 1 -2.706 2.963 -2.565 0.00 0.00 +0.034 C ATOM 8 C LIG 1 0.909 2.002 -2.546 0.00 0.00 +0.022 C ATOM 9 C LIG 1 2.231 2.585 -2.030 0.00 0.00 +0.002 C ATOM 10 C LIG 1 2.175 3.635 -0.929 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -2.543 2.279 -1.211 0.00 0.00 +0.162 C ATOM 12 C LIG 1 1.635 3.262 0.452 0.00 0.00 +0.032 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 2.650 0.271 0.696 0.00 0.00 +0.231 C ATOM 14 N LIG 1 1.450 0.748 0.195 0.00 0.00 -0.303 N ATOM 15 H LIG 1 0.848 0.091 -0.289 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.258 0.856 1.587 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 3.138 -1.027 -0.006 0.00 0.00 +0.143 C BRANCH 17 18 ATOM 18 N LIG 1 4.599 -1.229 0.042 0.00 0.00 -0.292 NA ATOM 19 C LIG 1 5.177 -1.526 1.353 0.00 0.00 +0.085 C ATOM 20 C LIG 1 6.636 -1.086 1.253 0.00 0.00 +0.017 C ATOM 21 C LIG 1 6.795 -0.557 -0.164 0.00 0.00 +0.017 C ATOM 22 C LIG 1 5.386 -0.151 -0.550 0.00 0.00 +0.085 C ENDBRANCH 17 18 BRANCH 17 24 ATOM 23 C LIG 1 2.622 -3.516 -0.265 0.00 0.00 +0.006 C ATOM 24 C LIG 1 2.340 -2.236 0.512 0.00 0.00 +0.025 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 11 25 ATOM 25 C LIG 1 -3.156 0.860 -1.203 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -3.495 0.433 0.062 0.00 0.00 -0.303 N ATOM 27 H LIG 1 -2.990 0.882 0.826 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -3.290 0.174 -2.211 0.00 0.00 -0.274 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.040 -0.883 0.326 0.00 0.00 +0.134 C BRANCH 29 30 ATOM 30 C LIG 1 -2.915 -1.844 0.695 0.00 0.00 -0.023 A ATOM 31 C LIG 1 -2.250 -1.752 1.929 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -1.263 -2.674 2.276 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -0.919 -3.692 1.389 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -1.542 -3.775 0.146 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -2.531 -2.854 -0.202 0.00 0.00 +0.006 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.159 -0.860 1.370 0.00 0.00 -0.023 A ATOM 37 C LIG 1 -5.479 0.282 2.125 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -6.504 0.250 3.074 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.229 -0.921 3.284 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.932 -2.061 2.544 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.909 -2.031 1.594 0.00 0.00 +0.006 A ENDBRANCH 29 36 ENDBRANCH 26 29 ENDBRANCH 11 25 TORSDOF 8