REMARK Name = BDB047057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.518 -0.246 -1.353 0.00 0.00 +0.263 C ATOM 2 N LIG 1 1.378 0.022 -0.546 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.385 0.402 0.803 0.00 0.00 +0.057 A ATOM 4 C LIG 1 0.063 0.637 1.190 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -0.204 1.077 2.511 0.00 0.00 +0.056 A ATOM 6 C LIG 1 0.837 1.245 3.427 0.00 0.00 +0.131 A ATOM 7 C LIG 1 2.139 0.953 3.034 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -0.783 0.314 0.085 0.00 0.00 -0.014 A ATOM 9 C LIG 1 2.433 0.520 1.737 0.00 0.00 +0.030 A ATOM 10 C LIG 1 0.047 -0.059 -0.964 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -0.334 -0.460 -2.354 0.00 0.00 +0.064 C ATOM 12 O LIG 1 2.385 -1.001 -2.316 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 6.434 1.402 -0.822 0.00 0.00 +0.120 A ATOM 14 C LIG 1 5.306 2.222 -0.715 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.022 1.699 -0.885 0.00 0.00 +0.017 A ATOM 16 C LIG 1 3.864 0.335 -1.147 0.00 0.00 +0.040 A ATOM 17 C LIG 1 4.988 -0.487 -1.282 0.00 0.00 +0.017 A ATOM 18 C LIG 1 6.271 0.045 -1.112 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 8.807 1.264 -0.754 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.625 2.046 -0.630 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 6 21 ATOM 21 O LIG 1 0.720 1.661 4.722 0.00 0.00 -0.406 OA BRANCH 21 22 ATOM 22 C LIG 1 -0.573 1.991 5.198 0.00 0.00 +0.575 C ATOM 23 F LIG 1 -1.123 2.991 4.474 0.00 0.00 -0.133 F ATOM 24 F LIG 1 -1.391 0.916 5.172 0.00 0.00 -0.133 F ATOM 25 F LIG 1 -0.470 2.409 6.479 0.00 0.00 -0.133 F ENDBRANCH 21 22 ENDBRANCH 6 21 BRANCH 8 26 ATOM 26 C LIG 1 -2.286 0.391 0.076 0.00 0.00 +0.076 C BRANCH 26 27 ATOM 27 C LIG 1 -2.824 -1.024 0.117 0.00 0.00 -0.001 A ATOM 28 C LIG 1 -3.694 -1.504 -0.880 0.00 0.00 +0.125 A ATOM 29 C LIG 1 -4.154 -2.823 -0.848 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -3.812 -3.659 0.214 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.002 -3.184 1.240 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -2.514 -1.878 1.193 0.00 0.00 +0.007 A BRANCH 28 33 ATOM 33 O LIG 1 -4.024 -0.669 -1.913 0.00 0.00 -0.478 OA BRANCH 33 34 ATOM 34 C LIG 1 -5.405 -0.316 -2.059 0.00 0.00 +0.278 C ATOM 35 C LIG 1 -6.151 -0.104 -0.736 0.00 0.00 +0.064 C BRANCH 34 36 ATOM 36 C LIG 1 -6.205 -1.194 -3.042 0.00 0.00 +0.346 C ATOM 37 O LIG 1 -5.798 -2.215 -3.576 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 -7.440 -0.707 -3.330 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 -7.655 0.152 -2.923 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 10