REMARK Name = BDB049203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.366 1.038 -0.513 0.00 0.00 +0.004 A ATOM 2 C LIG 1 -3.514 0.237 -0.539 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -4.697 0.677 0.064 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -4.732 1.906 0.731 0.00 0.00 +0.078 A ATOM 5 C LIG 1 -3.587 2.714 0.751 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -2.413 2.283 0.127 0.00 0.00 +0.011 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 2.647 -0.379 0.190 0.00 0.00 -0.010 A ATOM 8 C LIG 1 2.275 -0.419 -1.114 0.00 0.00 +0.055 A ATOM 9 C LIG 1 0.952 -0.084 -1.518 0.00 0.00 +0.139 A ATOM 10 N LIG 1 0.053 0.301 -0.530 0.00 0.00 -0.299 N ATOM 11 C LIG 1 -1.145 0.584 -1.164 0.00 0.00 +0.073 A ATOM 12 C LIG 1 -0.899 0.317 -2.499 0.00 0.00 +0.139 A ATOM 13 C LIG 1 0.398 0.347 0.820 0.00 0.00 +0.094 A ATOM 14 N LIG 1 0.395 -0.082 -2.709 0.00 0.00 -0.235 NA ATOM 15 C LIG 1 1.647 0.024 1.194 0.00 0.00 +0.027 A BRANCH 7 19 ATOM 16 N LIG 1 6.153 -1.025 0.674 0.00 0.00 -0.270 N ATOM 17 N LIG 1 5.737 -1.436 1.887 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 4.415 -1.251 1.844 0.00 0.00 +0.142 A ATOM 19 C LIG 1 3.978 -0.719 0.609 0.00 0.00 +0.020 A ATOM 20 C LIG 1 5.136 -0.590 -0.129 0.00 0.00 +0.116 A BRANCH 16 21 ATOM 21 C LIG 1 7.564 -1.086 0.334 0.00 0.00 +0.158 C BRANCH 21 22 ATOM 22 C LIG 1 8.310 0.163 0.821 0.00 0.00 +0.107 C BRANCH 22 24 ATOM 23 C LIG 1 10.039 0.273 -0.909 0.00 0.00 +0.104 C ATOM 24 N LIG 1 9.753 0.247 0.522 0.00 0.00 -0.307 NA ATOM 25 C LIG 1 10.525 -0.795 1.195 0.00 0.00 +0.104 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 16 21 ENDBRANCH 7 19 ENDBRANCH 1 11 BRANCH 4 26 ATOM 26 C LIG 1 -5.970 2.389 1.387 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -7.066 2.333 0.849 0.00 0.00 -0.270 OA ATOM 28 N LIG 1 -5.817 2.918 2.640 0.00 0.00 -0.325 N ATOM 29 H LIG 1 -4.985 2.747 3.188 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 -6.672 3.126 3.141 0.00 0.00 +0.145 HD ENDBRANCH 4 26 BRANCH 3 31 ATOM 31 O LIG 1 -5.771 -0.173 0.088 0.00 0.00 -0.487 OA BRANCH 31 32 ATOM 32 C LIG 1 -6.479 -0.132 -1.158 0.00 0.00 +0.267 C BRANCH 32 33 ATOM 33 C LIG 1 -7.692 -1.012 -1.038 0.00 0.00 +0.025 A ATOM 34 C LIG 1 -7.755 -2.239 -1.700 0.00 0.00 +0.130 A ATOM 35 F LIG 1 -6.731 -2.643 -2.465 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -8.871 -3.065 -1.588 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -9.949 -2.667 -0.799 0.00 0.00 +0.003 A ATOM 38 C LIG 1 -9.902 -1.447 -0.125 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -8.780 -0.624 -0.241 0.00 0.00 +0.010 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 3 31 TORSDOF 9