REMARK Name = BDB064901 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.426 -2.690 -0.143 0.00 0.00 +0.045 A ATOM 2 C LIG 1 -2.434 -1.708 -0.281 0.00 0.00 +0.140 A ATOM 3 O LIG 1 -2.012 -0.483 -0.727 0.00 0.00 -0.455 OA ATOM 4 C LIG 1 -2.884 0.572 -0.790 0.00 0.00 +0.141 A ATOM 5 C LIG 1 -2.318 1.817 -1.151 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -3.151 2.947 -1.262 0.00 0.00 +0.128 A ATOM 7 C LIG 1 -4.518 2.819 -1.021 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -5.057 1.583 -0.658 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -4.250 0.440 -0.527 0.00 0.00 +0.005 A ATOM 10 C LIG 1 -4.840 -0.910 -0.117 0.00 0.00 +0.022 C ATOM 11 C LIG 1 -5.568 -0.744 1.240 0.00 0.00 +0.021 C ATOM 12 C LIG 1 -5.849 -1.361 -1.198 0.00 0.00 +0.021 C ATOM 13 C LIG 1 -3.766 -1.986 0.028 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -4.078 -3.283 0.474 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -3.088 -4.257 0.638 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -1.757 -3.965 0.346 0.00 0.00 +0.127 A ENDROOT BRANCH 6 17 ATOM 17 O LIG 1 -2.539 4.116 -1.639 0.00 0.00 -0.495 OA ATOM 18 C LIG 1 -3.290 5.316 -1.493 0.00 0.00 +0.277 C ENDBRANCH 6 17 BRANCH 16 19 ATOM 19 O LIG 1 -0.714 -4.842 0.498 0.00 0.00 -0.495 OA ATOM 20 C LIG 1 -1.006 -6.113 1.066 0.00 0.00 +0.277 C ENDBRANCH 16 19 BRANCH 1 21 ATOM 21 C LIG 1 0.019 -2.347 -0.463 0.00 0.00 +0.138 C BRANCH 21 24 ATOM 22 C LIG 1 2.861 -1.382 1.897 0.00 0.00 +0.201 C ATOM 23 N LIG 1 2.151 -1.827 0.720 0.00 0.00 -0.267 N ATOM 24 C LIG 1 0.765 -1.756 0.729 0.00 0.00 +0.222 C ATOM 25 O LIG 1 0.171 -1.195 1.655 0.00 0.00 -0.275 OA ATOM 26 C LIG 1 2.933 -2.818 -0.024 0.00 0.00 +0.161 C ATOM 27 C LIG 1 3.204 -2.465 -1.476 0.00 0.00 +0.038 C ATOM 28 C LIG 1 4.247 -2.845 0.752 0.00 0.00 +0.237 C ATOM 29 O LIG 1 5.186 -3.593 0.519 0.00 0.00 -0.274 OA ATOM 30 N LIG 1 4.193 -1.898 1.757 0.00 0.00 -0.280 N ATOM 31 C LIG 1 5.175 -1.808 2.811 0.00 0.00 +0.134 C BRANCH 22 33 ATOM 32 C LIG 1 3.277 1.101 1.303 0.00 0.00 +0.169 A ATOM 33 C LIG 1 2.803 0.110 2.181 0.00 0.00 +0.038 A ATOM 34 C LIG 1 2.244 0.527 3.405 0.00 0.00 +0.043 A ATOM 35 C LIG 1 2.191 1.885 3.740 0.00 0.00 +0.130 A ATOM 36 C LIG 1 2.712 2.859 2.882 0.00 0.00 +0.082 A ATOM 37 C LIG 1 3.272 2.471 1.665 0.00 0.00 +0.164 A BRANCH 35 38 ATOM 38 N LIG 1 1.600 2.293 5.020 0.00 0.00 +0.057 N ATOM 39 O LIG 1 1.414 1.415 5.875 0.00 0.00 -0.126 OA ATOM 40 O LIG 1 1.337 3.494 5.175 0.00 0.00 -0.126 OA ENDBRANCH 35 38 BRANCH 37 41 ATOM 41 O LIG 1 3.845 3.336 0.768 0.00 0.00 -0.491 OA ATOM 42 C LIG 1 3.885 4.717 1.104 0.00 0.00 +0.277 C ENDBRANCH 37 41 BRANCH 32 43 ATOM 43 O LIG 1 3.824 0.714 0.104 0.00 0.00 -0.488 OA BRANCH 43 45 ATOM 44 C LIG 1 3.910 1.446 -2.176 0.00 0.00 +0.048 C ATOM 45 C LIG 1 3.004 1.115 -1.005 0.00 0.00 +0.226 C ENDBRANCH 43 45 ENDBRANCH 32 43 ENDBRANCH 22 33 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 5 46 ATOM 46 C LIG 1 -0.834 1.938 -1.421 0.00 0.00 +0.147 C BRANCH 46 47 ATOM 47 N LIG 1 -0.579 2.139 -2.833 0.00 0.00 -0.311 N ATOM 48 H LIG 1 -1.038 2.936 -3.256 0.00 0.00 +0.149 HD ATOM 49 C LIG 1 0.098 1.237 -3.611 0.00 0.00 +0.210 C ATOM 50 O LIG 1 0.620 0.212 -3.185 0.00 0.00 -0.276 OA ATOM 51 C LIG 1 0.173 1.612 -5.067 0.00 0.00 +0.109 C ENDBRANCH 46 47 ENDBRANCH 5 46 TORSDOF 11