REMARK Name = BDB035702 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.826 0.135 -1.397 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.030 0.047 -0.249 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.296 -0.284 0.891 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.327 0.452 -0.635 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.462 0.526 0.152 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.654 0.943 -0.454 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.660 1.264 -1.834 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.495 1.183 -2.621 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.327 0.769 -1.988 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.046 0.580 -2.545 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.341 -0.893 -0.474 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.962 -0.590 -0.387 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.213 -0.165 -1.494 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.883 -0.043 -2.719 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.244 -0.335 -2.831 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.968 -0.757 -1.719 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.058 -1.348 0.796 0.00 0.00 +0.092 C BRANCH 17 20 ATOM 18 C LIG 1 -5.972 1.687 0.429 0.00 0.00 +0.150 C ATOM 19 N LIG 1 -5.618 1.030 1.663 0.00 0.00 -0.337 N ATOM 20 C LIG 1 -5.220 -0.277 1.853 0.00 0.00 +0.117 A ATOM 21 N LIG 1 -5.033 -0.506 3.143 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 -5.276 0.674 3.786 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -5.644 1.643 2.888 0.00 0.00 +0.106 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.408 -2.012 0.539 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -6.999 -2.819 1.710 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -7.311 -3.923 0.817 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -6.396 -3.379 -0.167 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.505 1.518 -4.087 0.00 0.00 +0.418 C ATOM 29 F LIG 1 3.704 1.965 -4.547 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.177 0.447 -4.861 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.598 2.486 -4.398 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.934 1.032 0.348 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.860 -0.021 -0.066 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.428 -0.927 0.122 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.193 0.134 0.533 0.00 0.00 +0.017 C ATOM 36 C LIG 1 8.142 -0.836 -0.233 0.00 0.00 +0.022 C ATOM 37 C LIG 1 9.149 0.331 -0.329 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.953 1.294 -0.171 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.237 0.030 2.046 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8