REMARK Name = BDB007985 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.875 0.305 1.171 0.00 0.00 +0.063 C ATOM 2 C LIG 1 -1.139 0.910 -0.028 0.00 0.00 +0.027 C ATOM 3 C LIG 1 0.036 1.796 0.395 0.00 0.00 +0.085 C ATOM 4 N LIG 1 0.848 1.235 1.479 0.00 0.00 -0.294 NA ATOM 5 C LIG 1 0.563 -0.164 1.782 0.00 0.00 +0.085 C ATOM 6 C LIG 1 -0.900 -0.292 2.206 0.00 0.00 +0.027 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.840 -0.764 0.661 0.00 0.00 +0.166 C ATOM 8 O LIG 1 -2.458 -1.913 0.424 0.00 0.00 -0.292 OA BRANCH 7 12 ATOM 9 C LIG 1 -7.008 0.098 -0.042 0.00 0.00 +0.121 A ATOM 10 C LIG 1 -6.547 -1.216 0.024 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -5.188 -1.472 0.250 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -4.276 -0.420 0.418 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.741 0.897 0.341 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -6.099 1.147 0.114 0.00 0.00 +0.046 A BRANCH 9 15 ATOM 15 O LIG 1 -8.301 0.490 -0.254 0.00 0.00 -0.492 OA BRANCH 15 16 ATOM 16 C LIG 1 -9.278 -0.541 -0.409 0.00 0.00 +0.229 C BRANCH 16 18 ATOM 17 C LIG 1 -11.748 -0.889 -0.783 0.00 0.00 +0.007 C ATOM 18 C LIG 1 -10.633 0.129 -0.620 0.00 0.00 +0.038 C ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 7 12 ENDBRANCH 1 7 BRANCH 4 19 ATOM 19 C LIG 1 2.279 1.557 1.366 0.00 0.00 +0.180 C BRANCH 19 20 ATOM 20 C LIG 1 2.986 0.800 0.235 0.00 0.00 +0.227 C ATOM 21 N LIG 1 3.590 -0.380 0.616 0.00 0.00 -0.307 N ATOM 22 H LIG 1 3.682 -0.598 1.601 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 3.035 1.206 -0.926 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 4.287 -1.218 -0.342 0.00 0.00 +0.178 C BRANCH 24 25 ATOM 25 C LIG 1 5.685 -0.667 -0.575 0.00 0.00 +0.127 A ATOM 26 N LIG 1 5.754 0.487 -1.308 0.00 0.00 -0.309 N ATOM 27 H LIG 1 4.897 0.949 -1.608 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 6.931 1.124 -1.563 0.00 0.00 +0.257 A ATOM 29 O LIG 1 7.000 2.176 -2.188 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 8.128 0.449 -1.028 0.00 0.00 +0.064 A ATOM 31 C LIG 1 9.461 1.076 -1.274 0.00 0.00 +0.202 C ATOM 32 O LIG 1 10.494 0.496 -0.456 0.00 0.00 -0.375 OA ATOM 33 C LIG 1 10.439 -0.933 -0.465 0.00 0.00 +0.166 C ATOM 34 C LIG 1 9.155 -1.409 0.213 0.00 0.00 +0.084 C ATOM 35 C LIG 1 7.949 -0.686 -0.334 0.00 0.00 +0.056 A ATOM 36 N LIG 1 6.727 -1.264 -0.084 0.00 0.00 -0.237 NA ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 9