REMARK Name = BDB011754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.292 1.706 -0.549 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.027 1.985 0.230 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.397 3.149 0.284 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.643 0.921 0.837 0.00 0.00 -0.262 N ATOM 5 C LIG 1 0.329 -0.510 0.742 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.442 -1.175 -0.264 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.449 -2.596 -0.273 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.142 -3.369 0.720 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.786 -2.737 1.756 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.163 -0.548 -1.342 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.239 -1.117 -2.055 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -2.498 -0.821 -3.222 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.879 -1.343 1.756 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.852 0.818 -1.696 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -3.204 -2.015 -1.362 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -3.643 -1.752 -0.059 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -4.568 -2.603 0.557 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -5.072 -3.714 -0.132 0.00 0.00 +0.017 A ATOM 19 C LIG 1 -4.647 -3.959 -1.445 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -3.726 -3.108 -2.063 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 -6.053 -4.655 0.486 0.00 0.00 +0.160 C ATOM 22 O LIG 1 -6.405 -5.662 -0.126 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 -6.589 -4.353 1.861 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -2.861 3.582 -0.252 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -1.877 2.970 -1.006 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -1.251 3.591 -1.504 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -3.410 3.030 0.702 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -3.176 5.037 -0.677 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -2.221 5.962 0.079 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -5.018 6.667 -0.663 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -4.607 5.293 -0.429 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -4.828 5.009 0.528 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 1.852 1.336 1.596 0.00 0.00 +0.171 C BRANCH 33 34 ATOM 34 C LIG 1 3.106 0.780 0.985 0.00 0.00 +0.089 A ATOM 35 C LIG 1 3.663 1.056 -0.289 0.00 0.00 +0.025 A ATOM 36 C LIG 1 4.788 0.234 -0.379 0.00 0.00 +0.075 A ATOM 37 C LIG 1 5.658 0.304 -1.483 0.00 0.00 +0.028 A ATOM 38 C LIG 1 5.330 1.173 -2.529 0.00 0.00 +0.002 A ATOM 39 C LIG 1 4.187 1.964 -2.473 0.00 0.00 +0.001 A ATOM 40 N LIG 1 4.802 -0.505 0.796 0.00 0.00 -0.231 N ATOM 41 C LIG 1 3.348 1.919 -1.356 0.00 0.00 +0.012 A ATOM 42 N LIG 1 3.882 -0.057 1.690 0.00 0.00 -0.169 NA BRANCH 40 43 ATOM 43 C LIG 1 5.662 -1.570 1.183 0.00 0.00 +0.083 A ATOM 44 C LIG 1 6.040 -2.605 0.311 0.00 0.00 +0.077 A ATOM 45 C LIG 1 6.928 -3.594 0.772 0.00 0.00 +0.021 A ATOM 46 C LIG 1 7.409 -3.572 2.083 0.00 0.00 +0.001 A ATOM 47 C LIG 1 6.989 -2.576 2.960 0.00 0.00 +0.002 A ATOM 48 C LIG 1 6.110 -1.587 2.518 0.00 0.00 +0.029 A BRANCH 44 49 ATOM 49 C LIG 1 5.469 -2.799 -0.992 0.00 0.00 +0.101 C ATOM 50 N LIG 1 5.027 -2.996 -2.047 0.00 0.00 -0.191 NA ENDBRANCH 44 49 ENDBRANCH 40 43 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 9