REMARK Name = BDB005140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.638 -1.130 0.182 0.00 0.00 +0.103 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 2.153 -1.378 0.847 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.912 -0.947 0.358 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -0.284 -1.600 0.714 0.00 0.00 -0.025 A ATOM 5 C LIG 1 -0.214 -2.706 1.571 0.00 0.00 +0.005 A ATOM 6 C LIG 1 1.016 -3.143 2.057 0.00 0.00 +0.002 A ATOM 7 C LIG 1 2.194 -2.482 1.697 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 4.601 -0.849 0.840 0.00 0.00 +0.248 C ATOM 9 N LIG 1 3.293 -0.660 0.429 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.115 0.119 -0.190 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 4.998 -1.627 1.698 0.00 0.00 -0.270 OA BRANCH 8 15 ATOM 12 C LIG 1 7.532 1.706 -0.994 0.00 0.00 +0.120 A ATOM 13 C LIG 1 6.446 1.242 -1.743 0.00 0.00 +0.046 A ATOM 14 C LIG 1 5.483 0.407 -1.167 0.00 0.00 +0.016 A ATOM 15 C LIG 1 5.599 0.038 0.177 0.00 0.00 +0.037 A ATOM 16 C LIG 1 6.695 0.487 0.924 0.00 0.00 +0.016 A ATOM 17 C LIG 1 7.655 1.322 0.342 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 9.532 2.990 -0.975 0.00 0.00 +0.277 C ATOM 19 O LIG 1 8.393 2.515 -1.682 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N LIG 1 -1.757 0.307 0.509 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -1.354 0.479 1.428 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.060 0.855 0.524 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -3.225 2.224 0.826 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -4.546 2.713 0.849 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -4.731 4.077 1.158 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -3.637 4.923 1.426 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -2.341 4.435 1.388 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -5.583 1.888 0.578 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -5.309 0.612 0.283 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -2.138 3.096 1.088 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -4.100 0.059 0.240 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -6.078 4.728 1.225 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -6.202 5.923 1.474 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -7.183 3.963 1.002 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -8.094 4.397 1.027 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -7.097 2.978 0.771 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -1.747 -1.348 -1.342 0.00 0.00 +0.042 C BRANCH 37 38 ATOM 38 C LIG 1 -1.677 -2.820 -1.774 0.00 0.00 +0.086 C BRANCH 38 39 ATOM 39 N LIG 1 -2.703 -3.642 -1.126 0.00 0.00 -0.302 NA ATOM 40 C LIG 1 -2.690 -5.023 -1.679 0.00 0.00 +0.085 C ATOM 41 C LIG 1 -4.229 -4.969 -1.661 0.00 0.00 +0.031 C ATOM 42 C LIG 1 -4.034 -3.444 -1.762 0.00 0.00 +0.085 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 10