REMARK Name = BDB011549 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.571 -0.436 -0.500 0.00 0.00 +0.200 C ATOM 2 C LIG 1 -3.010 -1.145 -1.730 0.00 0.00 +0.200 C ATOM 3 C LIG 1 -4.075 -1.449 -2.786 0.00 0.00 +0.054 C ATOM 4 O LIG 1 -2.481 -2.410 -1.357 0.00 0.00 -0.485 OA ATOM 5 C LIG 1 -1.572 -2.517 -0.344 0.00 0.00 +0.142 A ATOM 6 C LIG 1 -0.990 -1.527 0.475 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -0.051 -1.984 1.431 0.00 0.00 +0.027 A ATOM 8 C LIG 1 0.308 -3.330 1.568 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.271 -4.280 0.752 0.00 0.00 +0.004 A ATOM 10 N LIG 1 -1.261 -0.104 0.418 0.00 0.00 -0.262 N ATOM 11 C LIG 1 -1.206 -3.872 -0.191 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -2.434 0.476 -0.057 0.00 0.00 +0.244 C ATOM 13 O LIG 1 -2.564 1.703 -0.178 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 -5.728 0.561 0.179 0.00 0.00 +0.230 C ATOM 15 N LIG 1 -4.733 0.423 -0.769 0.00 0.00 -0.300 N ATOM 16 H LIG 1 -4.522 1.264 -1.298 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 -5.813 -0.158 1.173 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 -6.724 1.706 -0.116 0.00 0.00 +0.137 C ATOM 19 C LIG 1 -6.133 3.019 0.390 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 -8.792 0.430 -0.106 0.00 0.00 +0.101 C ATOM 21 N LIG 1 -8.015 1.468 0.563 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 -7.803 1.145 1.512 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 1 15 BRANCH 10 23 ATOM 23 C LIG 1 -0.217 0.845 0.856 0.00 0.00 +0.149 C BRANCH 23 24 ATOM 24 C LIG 1 1.021 0.830 -0.025 0.00 0.00 -0.019 A ATOM 25 C LIG 1 2.330 0.618 0.472 0.00 0.00 +0.025 A ATOM 26 C LIG 1 2.890 0.361 1.739 0.00 0.00 +0.143 A ATOM 27 N LIG 1 4.207 0.193 1.704 0.00 0.00 -0.174 NA ATOM 28 N LIG 1 4.545 0.381 0.408 0.00 0.00 -0.231 N ATOM 29 C LIG 1 3.428 0.615 -0.394 0.00 0.00 +0.075 A ATOM 30 C LIG 1 3.264 0.771 -1.782 0.00 0.00 +0.028 A ATOM 31 C LIG 1 1.979 1.008 -2.270 0.00 0.00 +0.002 A ATOM 32 C LIG 1 0.885 1.053 -1.411 0.00 0.00 +0.006 A BRANCH 28 33 ATOM 33 C LIG 1 5.926 0.410 0.055 0.00 0.00 +0.083 A ATOM 34 C LIG 1 6.869 -0.398 0.728 0.00 0.00 +0.078 A ATOM 35 C LIG 1 8.228 -0.298 0.384 0.00 0.00 +0.036 A ATOM 36 C LIG 1 8.650 0.601 -0.600 0.00 0.00 +0.060 A ATOM 37 C LIG 1 7.717 1.391 -1.275 0.00 0.00 +0.017 A ATOM 38 C LIG 1 6.362 1.300 -0.945 0.00 0.00 +0.030 A BRANCH 34 39 ATOM 39 C LIG 1 6.517 -1.400 1.701 0.00 0.00 +0.101 C ATOM 40 N LIG 1 6.302 -2.249 2.463 0.00 0.00 -0.191 NA ENDBRANCH 34 39 BRANCH 36 41 ATOM 41 C LIG 1 10.089 0.656 -0.936 0.00 0.00 +0.337 C ATOM 42 O LIG 1 10.784 -0.340 -1.022 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 10.547 1.914 -1.097 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 9.932 2.619 -0.825 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 28 33 ENDBRANCH 23 24 ENDBRANCH 10 23 TORSDOF 9