REMARK Name = BDB039073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.905 2.171 -0.239 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.708 2.110 -0.928 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.705 1.163 -0.451 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.326 1.372 -1.023 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.066 2.350 -2.012 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -1.770 2.535 -2.515 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.699 1.749 -2.082 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.973 0.772 -1.119 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.182 -0.156 -0.465 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.996 -0.901 0.368 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -2.236 -0.450 0.310 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.183 3.246 -2.487 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -2.244 0.574 -0.599 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.551 2.598 -2.292 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -7.121 1.588 0.818 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.616 -2.076 1.234 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -0.257 -3.328 0.420 0.00 0.00 +0.026 C ATOM 18 C LIG 1 0.036 -4.543 1.316 0.00 0.00 +0.098 C ATOM 19 C LIG 1 1.053 -4.195 2.413 0.00 0.00 +0.015 C ATOM 20 C LIG 1 0.689 -2.941 3.208 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.440 -1.747 2.291 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -1.262 -5.159 1.811 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -2.215 -5.457 1.108 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -1.308 -5.402 3.132 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -2.198 -5.790 3.268 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 -9.073 3.055 -0.169 0.00 0.00 +0.282 C ATOM 27 O LIG 1 -7.828 2.957 -0.860 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 1.250 -0.276 -0.682 0.00 0.00 +0.124 C BRANCH 28 29 ATOM 29 C LIG 1 2.049 0.803 0.059 0.00 0.00 +0.025 C BRANCH 29 30 ATOM 30 C LIG 1 3.555 0.748 -0.255 0.00 0.00 -0.009 C ATOM 31 C LIG 1 4.192 -0.590 0.165 0.00 0.00 +0.006 C ATOM 32 C LIG 1 5.689 -0.490 0.478 0.00 0.00 +0.032 C ATOM 33 C LIG 1 6.391 0.612 -0.315 0.00 0.00 +0.118 C ATOM 34 C LIG 1 5.766 1.984 -0.016 0.00 0.00 +0.032 C ATOM 35 C LIG 1 4.291 1.919 0.403 0.00 0.00 +0.006 C BRANCH 33 36 ATOM 36 O LIG 1 6.260 0.289 -1.706 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 7.308 0.826 -2.503 0.00 0.00 +0.194 C ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 8