REMARK Name = BDB043056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.733 -0.713 0.819 0.00 0.00 +0.124 A ATOM 2 N LIG 1 3.126 0.294 1.561 0.00 0.00 -0.213 NA ATOM 3 C LIG 1 2.166 1.128 2.055 0.00 0.00 +0.163 A ATOM 4 N LIG 1 0.808 0.934 1.802 0.00 0.00 -0.200 N ATOM 5 N LIG 1 0.034 1.874 2.436 0.00 0.00 -0.171 NA ATOM 6 C LIG 1 0.917 2.657 3.061 0.00 0.00 +0.141 A ATOM 7 C LIG 1 0.357 -0.136 0.990 0.00 0.00 +0.126 A ATOM 8 C LIG 1 2.237 2.249 2.845 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.287 -0.963 0.484 0.00 0.00 +0.087 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 3.537 2.877 3.387 0.00 0.00 +0.024 C ATOM 11 C LIG 1 3.574 4.298 3.882 0.00 0.00 +0.009 C ATOM 12 C LIG 1 4.198 3.951 2.562 0.00 0.00 +0.009 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 3.662 -1.597 0.312 0.00 0.00 -0.329 N ATOM 14 H LIG 1 3.390 -2.083 -0.545 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 5.095 -1.357 0.371 0.00 0.00 +0.109 C BRANCH 15 17 ATOM 16 C LIG 1 5.417 -1.021 -2.133 0.00 0.00 +0.133 C ATOM 17 C LIG 1 5.548 -0.390 -0.734 0.00 0.00 +0.037 C ATOM 18 C LIG 1 7.002 0.042 -0.488 0.00 0.00 +0.023 C ATOM 19 C LIG 1 7.523 0.929 -1.617 0.00 0.00 +0.081 C ATOM 20 N LIG 1 7.429 0.245 -2.905 0.00 0.00 -0.314 NA ATOM 21 H LIG 1 7.788 0.854 -3.641 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 6.045 -0.119 -3.211 0.00 0.00 +0.112 C BRANCH 16 23 ATOM 23 O LIG 1 4.038 -1.257 -2.444 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 3.591 -0.391 -2.447 0.00 0.00 +0.210 HD ENDBRANCH 16 23 ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 N LIG 1 -1.022 -0.236 0.778 0.00 0.00 -0.323 N ATOM 26 H LIG 1 -1.522 0.364 1.440 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.740 -1.465 0.464 0.00 0.00 +0.160 C BRANCH 27 28 ATOM 28 C LIG 1 -3.216 -1.336 0.224 0.00 0.00 +0.077 A ATOM 29 N LIG 1 -4.014 -2.459 0.153 0.00 0.00 -0.231 NA ATOM 30 C LIG 1 -5.237 -2.022 -0.070 0.00 0.00 +0.150 A ATOM 31 N LIG 1 -5.266 -0.635 -0.143 0.00 0.00 -0.306 N ATOM 32 C LIG 1 -6.421 0.105 -0.355 0.00 0.00 +0.096 A ATOM 33 C LIG 1 -7.598 -0.527 -0.516 0.00 0.00 -0.027 A ATOM 34 C LIG 1 -7.592 -1.992 -0.445 0.00 0.00 +0.021 A ATOM 35 C LIG 1 -6.471 -2.730 -0.234 0.00 0.00 +0.098 A ATOM 36 C LIG 1 -3.980 -0.200 0.035 0.00 0.00 +0.117 A BRANCH 35 37 ATOM 37 C LIG 1 -6.534 -4.231 -0.178 0.00 0.00 +0.421 C ATOM 38 F LIG 1 -5.746 -4.817 -1.119 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -7.796 -4.705 -0.396 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -6.155 -4.720 1.033 0.00 0.00 -0.166 F ENDBRANCH 35 37 BRANCH 33 41 ATOM 41 C LIG 1 -8.897 0.131 -0.712 0.00 0.00 +0.021 C ATOM 42 C LIG 1 -9.033 1.239 -1.728 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -9.664 -0.098 -1.993 0.00 0.00 +0.009 C ENDBRANCH 33 41 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 7 25 TORSDOF 10