REMARK Name = BDB035452 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.796 -0.653 1.412 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.140 -0.603 0.374 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.002 -0.596 -0.834 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.469 -0.562 0.996 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.707 -0.496 0.383 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.843 -0.465 1.201 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.691 -0.489 2.610 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.422 -0.559 3.218 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.314 -0.595 2.376 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.140 -0.665 2.713 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.248 -0.693 -0.149 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.841 -0.645 0.023 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.212 -0.698 1.277 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.031 -0.798 2.408 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.419 -0.852 2.285 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.013 -0.802 1.026 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 4.902 -0.627 -1.617 0.00 0.00 +0.056 C ATOM 18 C LIG 1 4.470 -1.780 -2.597 0.00 0.00 +0.025 C ATOM 19 C LIG 1 5.912 -1.801 -3.155 0.00 0.00 +0.022 C ATOM 20 C LIG 1 6.364 -1.164 -1.819 0.00 0.00 +0.025 C BRANCH 17 23 ATOM 21 C LIG 1 5.692 2.286 -0.429 0.00 0.00 +0.151 C ATOM 22 N LIG 1 5.078 2.031 -1.702 0.00 0.00 -0.320 N ATOM 23 C LIG 1 4.723 0.826 -2.247 0.00 0.00 +0.144 A ATOM 24 N LIG 1 4.212 1.042 -3.443 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 4.226 2.396 -3.679 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 4.742 2.976 -2.622 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 C LIG 1 6.495 -3.159 -3.475 0.00 0.00 +0.217 C ATOM 28 F LIG 1 5.839 -3.661 -4.555 0.00 0.00 -0.249 F ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.261 -0.578 4.713 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.591 0.515 5.171 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.539 -1.653 5.137 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.434 -0.619 5.398 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.226 -0.371 0.591 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -5.769 0.975 0.779 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.072 1.645 0.452 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.090 1.135 0.147 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.417 2.659 0.146 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -7.845 2.500 -1.329 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -6.935 1.255 -1.396 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.183 0.246 0.712 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8