REMARK Name = BDB004277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.331 0.236 0.881 0.00 0.00 +0.004 C ATOM 2 C LIG 1 -0.165 -0.155 0.995 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -0.437 1.262 1.599 0.00 0.00 -0.026 C ATOM 4 C LIG 1 -0.795 2.347 0.561 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -2.258 2.787 0.684 0.00 0.00 +0.105 C ATOM 6 N LIG 1 -3.091 1.624 0.988 0.00 0.00 -0.330 N ATOM 7 C LIG 1 -2.837 0.985 2.287 0.00 0.00 +0.105 C ATOM 8 C LIG 1 -1.410 1.262 2.780 0.00 0.00 +0.026 C ATOM 9 C LIG 1 1.066 1.262 2.013 0.00 0.00 +0.011 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.304 1.432 0.335 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -5.419 0.862 0.966 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -6.634 0.660 0.297 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -6.779 1.003 -1.051 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -5.671 1.547 -1.706 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -4.463 1.754 -1.022 0.00 0.00 +0.023 A BRANCH 13 16 ATOM 16 C LIG 1 -8.078 0.762 -1.814 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -8.206 -0.685 -2.364 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -9.597 -0.837 -2.993 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -10.683 -0.570 -2.104 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -10.561 0.564 -1.348 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -11.739 1.006 -0.742 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -11.730 2.162 0.027 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -10.560 2.889 0.201 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -9.379 2.435 -0.391 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -9.355 1.246 -1.147 0.00 0.00 +0.003 A BRANCH 17 26 ATOM 26 C LIG 1 -7.840 -1.825 -1.411 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -8.708 -2.311 -0.422 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -8.314 -3.341 0.437 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -7.045 -3.902 0.325 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.167 -3.434 -0.647 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.561 -2.405 -1.507 0.00 0.00 +0.004 A ENDBRANCH 17 26 BRANCH 22 32 ATOM 32 O LIG 1 -12.905 2.566 0.590 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -12.755 3.409 1.048 0.00 0.00 +0.292 HD ENDBRANCH 22 32 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 34 ATOM 34 C LIG 1 2.343 -0.869 1.178 0.00 0.00 +0.088 C BRANCH 34 38 ATOM 35 N LIG 1 6.550 -0.890 0.718 0.00 0.00 -0.327 N ATOM 36 C LIG 1 5.554 -0.708 -0.351 0.00 0.00 +0.120 C ATOM 37 C LIG 1 4.341 0.131 0.129 0.00 0.00 +0.103 C ATOM 38 N LIG 1 3.684 -0.309 1.379 0.00 0.00 -0.299 NA ATOM 39 C LIG 1 4.547 -1.231 2.142 0.00 0.00 +0.103 C ATOM 40 C LIG 1 6.038 -0.831 2.097 0.00 0.00 +0.120 C BRANCH 35 44 ATOM 41 C LIG 1 10.737 -0.757 -0.112 0.00 0.00 +0.038 A ATOM 42 C LIG 1 9.807 -1.157 -1.078 0.00 0.00 +0.025 A ATOM 43 C LIG 1 8.429 -1.199 -0.798 0.00 0.00 +0.025 A ATOM 44 C LIG 1 7.908 -0.845 0.451 0.00 0.00 +0.030 A ATOM 45 C LIG 1 8.847 -0.459 1.413 0.00 0.00 +0.025 A ATOM 46 C LIG 1 10.225 -0.405 1.139 0.00 0.00 +0.025 A BRANCH 41 53 ATOM 47 O LIG 1 15.845 0.090 -1.774 0.00 0.00 -0.275 OA ATOM 48 C LIG 1 14.752 -0.279 -1.353 0.00 0.00 +0.222 C ATOM 49 N LIG 1 14.360 -0.034 -0.066 0.00 0.00 -0.240 N ATOM 50 H LIG 1 14.993 0.560 0.451 0.00 0.00 +0.159 HD ATOM 51 C LIG 1 13.047 0.070 0.335 0.00 0.00 +0.313 C ATOM 52 O LIG 1 12.783 0.866 1.230 0.00 0.00 -0.252 OA ATOM 53 N LIG 1 12.143 -0.711 -0.399 0.00 0.00 -0.255 N ATOM 54 C LIG 1 12.721 -1.645 -1.362 0.00 0.00 +0.124 C ATOM 55 C LIG 1 13.731 -0.935 -2.237 0.00 0.00 +0.115 C ENDBRANCH 41 53 ENDBRANCH 35 44 ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 8