REMARK Name = BDB036137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.100 -1.322 -0.088 0.00 0.00 -0.302 NA ATOM 2 C LIG 1 -1.206 -0.637 0.845 0.00 0.00 +0.085 C ATOM 3 C LIG 1 0.206 -0.430 0.273 0.00 0.00 +0.025 C ATOM 4 C LIG 1 0.495 -1.489 -0.794 0.00 0.00 +0.004 C ATOM 5 C LIG 1 0.727 -2.918 -0.236 0.00 0.00 +0.115 C ATOM 6 N LIG 1 2.133 -2.630 -0.283 0.00 0.00 -0.310 N ATOM 7 C LIG 1 1.972 -1.584 -1.246 0.00 0.00 +0.115 C ATOM 8 C LIG 1 -0.503 -1.390 -1.958 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -1.891 -0.944 -1.477 0.00 0.00 +0.085 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.152 -3.599 -0.197 0.00 0.00 +0.187 A ATOM 11 C LIG 1 4.449 -3.389 -0.674 0.00 0.00 +0.280 A ATOM 12 N LIG 1 5.393 -4.357 -0.585 0.00 0.00 -0.106 NA ATOM 13 N LIG 1 5.070 -5.527 0.006 0.00 0.00 -0.134 NA ATOM 14 C LIG 1 3.819 -5.680 0.475 0.00 0.00 +0.247 A ATOM 15 N LIG 1 2.833 -4.774 0.394 0.00 0.00 -0.214 NA BRANCH 11 16 ATOM 16 O LIG 1 4.758 -2.193 -1.312 0.00 0.00 -0.434 OA BRANCH 16 17 ATOM 17 C LIG 1 6.094 -1.890 -1.411 0.00 0.00 +0.143 A ATOM 18 C LIG 1 6.682 -0.999 -0.507 0.00 0.00 +0.082 A ATOM 19 C LIG 1 8.043 -0.694 -0.595 0.00 0.00 +0.055 A ATOM 20 C LIG 1 8.786 -1.238 -1.635 0.00 0.00 +0.124 A ATOM 21 F LIG 1 10.087 -0.936 -1.742 0.00 0.00 -0.205 F ATOM 22 C LIG 1 8.201 -2.081 -2.579 0.00 0.00 +0.042 A ATOM 23 C LIG 1 6.847 -2.408 -2.471 0.00 0.00 +0.050 A BRANCH 18 24 ATOM 24 C LIG 1 5.888 -0.416 0.587 0.00 0.00 +0.250 C ATOM 25 N LIG 1 5.298 0.845 0.407 0.00 0.00 -0.295 N ATOM 26 O LIG 1 5.795 -1.083 1.617 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 4.569 1.403 1.565 0.00 0.00 +0.070 C ATOM 28 C LIG 1 3.320 2.202 1.191 0.00 0.00 +0.028 C ATOM 29 C LIG 1 5.509 2.235 2.440 0.00 0.00 +0.028 C ENDBRANCH 25 27 BRANCH 25 30 ATOM 30 C LIG 1 5.564 1.708 -0.754 0.00 0.00 +0.105 C ATOM 31 C LIG 1 4.592 1.482 -1.902 0.00 0.00 +0.024 C ENDBRANCH 25 30 ENDBRANCH 18 24 ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 6 10 BRANCH 1 32 ATOM 32 C LIG 1 -3.491 -1.442 0.344 0.00 0.00 +0.088 C BRANCH 32 41 ATOM 33 C LIG 1 -9.199 4.428 0.245 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -7.939 3.628 -0.025 0.00 0.00 +0.053 C ATOM 35 C LIG 1 -8.166 2.490 -0.996 0.00 0.00 +0.137 C ATOM 36 O LIG 1 -8.796 2.589 -2.042 0.00 0.00 -0.297 OA ATOM 37 C LIG 1 -7.526 1.204 -0.529 0.00 0.00 +0.081 C ATOM 38 C LIG 1 -6.649 1.662 0.656 0.00 0.00 -0.022 C ATOM 39 C LIG 1 -6.522 0.569 1.731 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -5.678 -0.614 1.262 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -4.265 -0.186 0.821 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -4.349 0.921 -0.239 0.00 0.00 +0.005 C ATOM 43 C LIG 1 -5.236 2.090 0.198 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -7.437 2.872 1.207 0.00 0.00 +0.018 C ENDBRANCH 32 41 ENDBRANCH 1 32 TORSDOF 8