REMARK Name = BDB024464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.612 2.830 -1.301 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.899 1.637 -1.299 0.00 0.00 +0.244 C ATOM 3 N LIG 1 -0.047 0.634 -1.274 0.00 0.00 -0.309 N ATOM 4 H LIG 1 0.233 -0.279 -0.938 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 2.327 1.208 -1.273 0.00 0.00 +0.037 A ATOM 6 C LIG 1 2.733 -0.056 -1.723 0.00 0.00 +0.014 A ATOM 7 C LIG 1 4.084 -0.414 -1.679 0.00 0.00 +0.014 A ATOM 8 C LIG 1 5.032 0.486 -1.180 0.00 0.00 +0.037 A ATOM 9 C LIG 1 4.637 1.763 -0.769 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.287 2.120 -0.811 0.00 0.00 +0.014 A BRANCH 8 11 ATOM 11 C LIG 1 6.459 0.086 -1.169 0.00 0.00 +0.247 C ATOM 12 N LIG 1 7.214 0.373 -0.044 0.00 0.00 -0.287 N ATOM 13 C LIG 1 6.732 0.351 1.336 0.00 0.00 +0.102 C ATOM 14 C LIG 1 6.637 -1.132 1.779 0.00 0.00 +0.182 C ATOM 15 O LIG 1 7.922 -1.788 1.719 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 8.572 -1.588 0.443 0.00 0.00 +0.182 C ATOM 17 C LIG 1 7.880 1.058 2.069 0.00 0.00 +0.027 C ATOM 18 C LIG 1 9.124 0.765 1.208 0.00 0.00 +0.027 C ATOM 19 C LIG 1 8.593 -0.089 0.049 0.00 0.00 +0.102 C ATOM 20 O LIG 1 6.918 -0.481 -2.157 0.00 0.00 -0.270 OA ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 3 21 ATOM 21 C LIG 1 -1.457 0.953 -1.104 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 -1.804 1.170 0.375 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 -1.693 -0.093 1.061 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -2.563 -0.522 0.916 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -3.225 1.729 0.601 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -4.251 0.707 0.296 0.00 0.00 -0.294 NA ATOM 27 C LIG 1 -5.274 0.661 1.371 0.00 0.00 +0.138 C ATOM 28 C LIG 1 -6.381 -0.248 0.968 0.00 0.00 +0.034 A ATOM 29 N LIG 1 -7.298 -0.814 1.809 0.00 0.00 -0.357 N ATOM 30 H LIG 1 -7.328 -0.704 2.813 0.00 0.00 +0.166 HD ATOM 31 C LIG 1 -8.192 -1.571 1.080 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -7.821 -1.480 -0.265 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -8.578 -2.178 -1.225 0.00 0.00 +0.010 A ATOM 34 C LIG 1 -9.680 -2.937 -0.812 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -10.028 -3.008 0.535 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -9.290 -2.326 1.508 0.00 0.00 +0.026 A ATOM 37 C LIG 1 -6.678 -0.641 -0.319 0.00 0.00 -0.017 A ATOM 38 C LIG 1 -5.833 -0.198 -1.461 0.00 0.00 +0.053 C ATOM 39 C LIG 1 -4.901 0.963 -1.021 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 7