REMARK Name = BDB006993 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.113 -0.065 -0.453 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.949 -0.803 -0.965 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.305 -0.436 -0.905 0.00 0.00 +0.059 A ATOM 4 C LIG 1 3.108 -1.400 -1.506 0.00 0.00 +0.070 A ATOM 5 N LIG 1 4.452 -1.336 -1.610 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 5.016 -0.225 -1.076 0.00 0.00 +0.122 A ATOM 7 C LIG 1 4.294 0.788 -0.439 0.00 0.00 +0.042 A ATOM 8 C LIG 1 2.283 -2.535 -2.071 0.00 0.00 +0.025 C ATOM 9 C LIG 1 2.407 -2.589 -3.596 0.00 0.00 +0.019 C ATOM 10 C LIG 1 2.686 -3.873 -1.447 0.00 0.00 +0.019 C ATOM 11 C LIG 1 2.900 0.690 -0.366 0.00 0.00 +0.038 A ATOM 12 C LIG 1 0.856 -2.115 -1.637 0.00 0.00 +0.126 C ATOM 13 O LIG 1 0.034 1.010 0.127 0.00 0.00 -0.274 OA ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 4.973 1.980 0.105 0.00 0.00 +0.195 C ATOM 15 O LIG 1 4.468 3.084 -0.077 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 6.254 1.869 0.850 0.00 0.00 +0.022 A ATOM 17 C LIG 1 6.559 0.748 1.633 0.00 0.00 +0.012 A ATOM 18 C LIG 1 7.774 0.689 2.319 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.678 1.748 2.236 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.368 2.875 1.475 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.155 2.939 0.787 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 7 14 BRANCH 1 22 ATOM 22 C LIG 1 -1.510 -0.682 -0.701 0.00 0.00 +0.181 C BRANCH 22 29 ATOM 23 C LIG 1 -3.609 0.204 3.743 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -3.743 0.376 2.231 0.00 0.00 +0.065 C ATOM 25 N LIG 1 -3.985 1.803 1.952 0.00 0.00 -0.311 NA ATOM 26 H LIG 1 -4.966 1.927 1.678 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 -3.151 2.291 0.846 0.00 0.00 +0.101 C ATOM 28 C LIG 1 -2.942 1.322 -0.358 0.00 0.00 +0.088 C ATOM 29 N LIG 1 -2.626 -0.073 0.044 0.00 0.00 -0.287 NA ATOM 30 C LIG 1 -2.512 -0.229 1.502 0.00 0.00 +0.103 C BRANCH 28 31 ATOM 31 C LIG 1 -4.135 1.360 -1.358 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 N LIG 1 -5.306 0.574 -0.990 0.00 0.00 -0.300 N ATOM 33 C LIG 1 -6.393 1.060 -0.286 0.00 0.00 +0.216 C ATOM 34 O LIG 1 -6.518 2.178 0.184 0.00 0.00 -0.276 OA ATOM 35 C LIG 1 -7.428 -0.035 -0.223 0.00 0.00 +0.097 C ATOM 36 C LIG 1 -6.623 -1.285 -0.559 0.00 0.00 +0.028 C ATOM 37 C LIG 1 -5.514 -0.772 -1.456 0.00 0.00 +0.108 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 6