REMARK Name = BDB011519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.837 -0.598 -0.470 0.00 0.00 +0.197 C ATOM 2 C LIG 1 1.069 -0.288 0.828 0.00 0.00 +0.244 C ATOM 3 O LIG 1 1.552 0.498 1.656 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.203 -0.854 0.962 0.00 0.00 -0.262 N ATOM 5 C LIG 1 -0.550 -2.146 0.424 0.00 0.00 +0.079 A ATOM 6 C LIG 1 0.433 -3.119 0.147 0.00 0.00 +0.156 A ATOM 7 C LIG 1 0.079 -4.410 -0.283 0.00 0.00 +0.102 A ATOM 8 C LIG 1 -1.266 -4.741 -0.466 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -2.250 -3.796 -0.200 0.00 0.00 +0.003 A ATOM 10 O LIG 1 1.746 -2.874 0.453 0.00 0.00 -0.487 OA ATOM 11 C LIG 1 -1.894 -2.516 0.238 0.00 0.00 +0.027 A ATOM 12 C LIG 1 2.331 -2.038 -0.543 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.168 1.182 -1.612 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.968 0.340 -0.539 0.00 0.00 -0.300 N ATOM 15 H LIG 1 3.346 0.619 0.363 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 2.478 1.157 -2.627 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.323 2.190 -1.404 0.00 0.00 +0.137 C ATOM 18 C LIG 1 3.741 3.469 -0.813 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 6.133 3.308 -2.623 0.00 0.00 +0.101 C ATOM 20 N LIG 1 5.020 2.376 -2.686 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 4.337 2.666 -3.393 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 C LIG 1 1.120 -5.419 -0.567 0.00 0.00 +0.340 C ATOM 23 O LIG 1 2.193 -5.236 -1.107 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 0.745 -6.642 -0.140 0.00 0.00 -0.477 OA ATOM 25 H LIG 1 1.518 -7.208 -0.348 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 7 22 BRANCH 4 26 ATOM 26 C LIG 1 -1.123 -0.193 1.903 0.00 0.00 +0.153 C BRANCH 26 27 ATOM 27 C LIG 1 -2.296 0.572 1.292 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -3.616 0.463 1.856 0.00 0.00 -0.010 A ATOM 29 C LIG 1 -4.683 1.170 1.245 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -5.994 1.073 1.744 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -6.285 0.287 2.853 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.264 -0.407 3.478 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.441 1.978 0.130 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -3.157 2.121 -0.383 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -3.955 -0.319 2.991 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -2.082 1.449 0.205 0.00 0.00 +0.125 A BRANCH 36 37 ATOM 37 O LIG 1 -0.808 1.573 -0.280 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -0.458 2.836 -0.829 0.00 0.00 +0.277 C ENDBRANCH 36 37 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8