REMARK Name = BDB059701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.074 -0.236 0.374 0.00 0.00 -0.022 A ATOM 2 C LIG 1 2.689 -0.161 1.720 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.318 -0.172 2.004 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.334 -0.269 1.028 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.906 -0.244 1.746 0.00 0.00 +0.102 A ATOM 6 N LIG 1 -0.692 -0.174 3.071 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.735 -0.376 -0.318 0.00 0.00 +0.013 A ATOM 8 N LIG 1 0.642 -0.094 3.188 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.038 0.008 4.115 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.103 -0.357 -0.627 0.00 0.00 +0.009 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 8.920 -0.141 -1.101 0.00 0.00 +0.121 A ATOM 12 C LIG 1 7.560 -0.384 -0.873 0.00 0.00 +0.056 A ATOM 13 C LIG 1 6.840 0.554 -0.150 0.00 0.00 +0.012 A ATOM 14 C LIG 1 5.434 0.637 0.276 0.00 0.00 +0.047 C ATOM 15 C LIG 1 5.288 1.927 1.049 0.00 0.00 +0.249 C ATOM 16 N LIG 1 6.552 2.498 1.031 0.00 0.00 -0.281 N ATOM 17 H LIG 1 6.752 3.384 1.470 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 4.300 2.389 1.584 0.00 0.00 -0.270 OA ATOM 19 C LIG 1 4.491 -0.272 -0.012 0.00 0.00 +0.021 C ATOM 20 C LIG 1 7.460 1.709 0.335 0.00 0.00 +0.042 A ATOM 21 C LIG 1 8.795 1.977 0.123 0.00 0.00 +0.027 A ATOM 22 C LIG 1 9.524 1.034 -0.607 0.00 0.00 +0.047 A BRANCH 11 24 ATOM 23 C LIG 1 9.244 -2.192 -2.268 0.00 0.00 +0.277 C ATOM 24 O LIG 1 9.773 -0.960 -1.792 0.00 0.00 -0.495 OA ENDBRANCH 11 24 ENDBRANCH 1 19 BRANCH 5 25 ATOM 25 C LIG 1 -2.262 -0.300 1.215 0.00 0.00 +0.021 A ATOM 26 C LIG 1 -2.631 0.386 0.069 0.00 0.00 +0.123 A ATOM 27 N LIG 1 -3.874 0.361 -0.477 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 -4.842 -0.350 0.144 0.00 0.00 +0.121 A ATOM 29 C LIG 1 -4.546 -1.070 1.303 0.00 0.00 +0.044 A ATOM 30 C LIG 1 -3.258 -1.040 1.845 0.00 0.00 +0.015 A BRANCH 28 31 ATOM 31 N LIG 1 -6.115 -0.385 -0.415 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -6.271 0.301 -1.708 0.00 0.00 +0.122 C ATOM 33 C LIG 1 -7.693 0.053 -2.256 0.00 0.00 +0.103 C ATOM 34 N LIG 1 -8.777 0.579 -1.393 0.00 0.00 -0.302 NA ATOM 35 C LIG 1 -9.981 -0.235 -1.525 0.00 0.00 +0.105 C ATOM 36 C LIG 1 -8.337 0.695 0.012 0.00 0.00 +0.103 C ATOM 37 C LIG 1 -7.283 -0.337 0.483 0.00 0.00 +0.122 C ENDBRANCH 28 31 ENDBRANCH 5 25 TORSDOF 4