REMARK Name = BDB035716 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.395 -0.026 0.997 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.699 -0.398 1.784 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.759 -0.907 2.889 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.909 -0.060 1.024 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.232 -0.243 1.385 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.220 0.160 0.477 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.838 0.726 -0.764 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.486 0.907 -1.115 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.529 0.499 -0.190 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.037 0.549 -0.272 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.163 0.126 0.710 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.774 0.250 0.445 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.769 -0.171 1.334 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.177 -0.733 2.544 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.532 -0.873 2.848 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.506 -0.451 1.944 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.245 0.624 -0.380 0.00 0.00 +0.060 C ATOM 18 C LIG 1 6.751 0.767 0.019 0.00 0.00 +0.051 C ATOM 19 C LIG 1 6.460 2.239 0.393 0.00 0.00 +0.124 C ATOM 20 C LIG 1 5.295 2.178 -0.620 0.00 0.00 +0.051 C BRANCH 17 23 ATOM 21 C LIG 1 5.918 -2.452 -1.029 0.00 0.00 +0.151 C ATOM 22 N LIG 1 5.345 -1.507 -1.946 0.00 0.00 -0.320 N ATOM 23 C LIG 1 5.048 -0.192 -1.718 0.00 0.00 +0.144 A ATOM 24 N LIG 1 4.487 0.310 -2.799 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 4.437 -0.680 -3.751 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 4.954 -1.765 -3.223 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 O LIG 1 7.497 3.191 0.088 0.00 0.00 -0.346 OA BRANCH 27 28 ATOM 28 C LIG 1 8.545 3.281 1.037 0.00 0.00 +0.375 C ATOM 29 F LIG 1 9.459 4.149 0.537 0.00 0.00 -0.218 F ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -2.087 1.495 -2.442 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -1.204 2.523 -2.303 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.130 1.992 -3.159 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.474 0.583 -3.243 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.686 -0.027 0.802 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -6.256 -1.079 -0.038 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.767 -1.953 0.156 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -7.716 -1.175 0.092 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -8.210 -2.079 -1.078 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -9.306 -1.025 -1.344 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -8.390 0.010 -0.656 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -8.217 -1.562 1.471 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9