REMARK Name = BDB064615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.325 -0.696 -1.586 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.754 -1.548 -1.678 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.623 -2.476 -2.076 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.297 0.328 -0.904 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.348 -0.847 -0.883 0.00 0.00 +0.237 C ATOM 6 N LIG 1 -2.747 -0.452 -2.059 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -1.506 -1.083 -2.494 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -1.249 -0.532 -3.902 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -2.636 -0.160 -4.402 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.364 0.307 -3.139 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -2.857 -1.740 -0.182 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 -3.275 -1.318 -4.936 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -2.820 -1.558 -5.762 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -4.588 -0.056 -0.402 0.00 0.00 +0.159 C BRANCH 14 17 ATOM 15 C LIG 1 -6.741 -2.695 1.259 0.00 0.00 +0.109 C ATOM 16 C LIG 1 -6.326 -1.694 0.214 0.00 0.00 +0.211 C ATOM 17 N LIG 1 -5.264 -0.903 0.585 0.00 0.00 -0.304 N ATOM 18 H LIG 1 -4.644 -1.293 1.287 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -6.902 -1.604 -0.865 0.00 0.00 -0.276 OA ENDBRANCH 14 17 BRANCH 14 20 ATOM 20 C LIG 1 -4.115 1.268 0.216 0.00 0.00 +0.035 C BRANCH 20 21 ATOM 21 C LIG 1 -5.162 2.326 0.462 0.00 0.00 -0.009 C ATOM 22 C LIG 1 -6.624 2.194 0.106 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -6.196 2.146 1.546 0.00 0.00 +0.004 C ENDBRANCH 20 21 ENDBRANCH 14 20 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 1.916 -1.390 -0.801 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 2.610 -2.763 -0.738 0.00 0.00 +0.231 C ATOM 26 O LIG 1 2.340 -3.682 -1.511 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 3.556 -2.931 0.228 0.00 0.00 -0.328 N ATOM 28 H LIG 1 3.792 -2.212 0.902 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 4.012 -3.830 0.301 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 2.866 -0.303 -1.331 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 3.805 0.243 -0.280 0.00 0.00 -0.045 A ATOM 32 C LIG 1 5.177 -0.024 -0.335 0.00 0.00 +0.004 A ATOM 33 C LIG 1 6.034 0.467 0.656 0.00 0.00 +0.009 A ATOM 34 C LIG 1 5.546 1.239 1.722 0.00 0.00 -0.018 A ATOM 35 C LIG 1 4.169 1.510 1.760 0.00 0.00 +0.009 A ATOM 36 C LIG 1 3.309 1.021 0.772 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 6.450 1.753 2.765 0.00 0.00 -0.018 A ATOM 38 C LIG 1 6.185 1.533 4.127 0.00 0.00 +0.008 A ATOM 39 C LIG 1 7.043 2.020 5.117 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.182 2.738 4.761 0.00 0.00 +0.000 A ATOM 41 C LIG 1 8.463 2.969 3.418 0.00 0.00 +0.001 A ATOM 42 C LIG 1 7.605 2.480 2.429 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 11