REMARK Name = BDB024936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.383 0.654 -0.580 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.153 0.876 -1.224 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.147 1.889 -2.302 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.892 1.385 -3.550 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.752 2.359 -2.742 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.821 2.463 -1.553 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.726 1.098 -0.936 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.505 0.569 -0.469 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.742 1.136 -0.491 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.556 0.282 0.103 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.872 -0.877 0.437 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.458 -0.694 0.107 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.601 -1.487 0.235 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.812 -0.952 -0.222 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.902 0.330 -0.781 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.449 1.128 -0.968 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.460 -2.096 0.992 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.349 -3.294 0.038 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.122 -4.515 0.560 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.168 -4.602 2.097 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.987 -3.895 2.754 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.954 -2.405 2.413 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.490 -5.769 -0.016 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.434 -6.245 0.380 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.185 -6.305 -1.047 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.009 -5.835 -1.281 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.537 -0.271 1.249 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.297 -0.081 0.566 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -3.036 0.477 0.324 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -3.548 1.915 0.327 0.00 0.00 -0.011 A ATOM 31 C LIG 1 -2.782 2.960 0.887 0.00 0.00 +0.018 A ATOM 32 C LIG 1 -3.300 4.267 0.923 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -4.575 4.506 0.429 0.00 0.00 +0.066 A ATOM 34 N LIG 1 -4.784 5.849 0.606 0.00 0.00 -0.277 N ATOM 35 H LIG 1 -5.609 6.383 0.359 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 -3.753 6.496 1.179 0.00 0.00 -0.181 NA ATOM 37 C LIG 1 -5.381 3.501 -0.106 0.00 0.00 +0.028 A ATOM 38 C LIG 1 -2.849 5.531 1.366 0.00 0.00 +0.142 A ATOM 39 C LIG 1 -4.846 2.206 -0.138 0.00 0.00 +0.009 A ENDBRANCH 29 30 BRANCH 29 40 ATOM 40 O LIG 1 -3.659 -0.274 -0.723 0.00 0.00 -0.379 OA ATOM 41 H LIG 1 -3.394 0.190 -1.541 0.00 0.00 +0.211 HD ENDBRANCH 29 40 ENDBRANCH 10 29 TORSDOF 7