REMARK Name = BDB007603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.042 -2.378 -1.408 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.054 -1.339 -0.757 0.00 0.00 +0.244 C ATOM 3 N LIG 1 -1.209 -0.773 -0.261 0.00 0.00 -0.309 N ATOM 4 H LIG 1 -1.137 -0.116 0.508 0.00 0.00 +0.149 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.218 -0.634 -0.437 0.00 0.00 +0.038 A ATOM 6 C LIG 1 2.408 -1.379 -0.432 0.00 0.00 +0.036 A ATOM 7 C LIG 1 3.654 -0.788 -0.162 0.00 0.00 +0.028 A ATOM 8 C LIG 1 3.655 0.573 0.158 0.00 0.00 +0.023 A ATOM 9 C LIG 1 2.479 1.333 0.142 0.00 0.00 +0.003 A ATOM 10 C LIG 1 1.260 0.734 -0.164 0.00 0.00 +0.013 A BRANCH 7 11 ATOM 11 N LIG 1 4.770 -1.613 -0.114 0.00 0.00 -0.341 N ATOM 12 H LIG 1 4.629 -2.470 -0.646 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 6.177 -1.194 -0.120 0.00 0.00 +0.073 C ATOM 14 C LIG 1 6.541 -0.325 -1.322 0.00 0.00 +0.037 C ATOM 15 C LIG 1 8.037 0.010 -1.323 0.00 0.00 +0.086 C ATOM 16 N LIG 1 8.621 0.160 0.018 0.00 0.00 -0.294 NA ATOM 17 C LIG 1 7.636 0.537 1.031 0.00 0.00 +0.086 C ATOM 18 C LIG 1 6.628 -0.598 1.219 0.00 0.00 +0.037 C BRANCH 16 19 ATOM 19 C LIG 1 9.823 1.032 0.021 0.00 0.00 +0.198 C BRANCH 19 20 ATOM 20 C LIG 1 9.684 2.566 -0.092 0.00 0.00 +0.402 C ATOM 21 F LIG 1 9.009 3.086 0.958 0.00 0.00 -0.169 F ATOM 22 F LIG 1 9.042 2.937 -1.220 0.00 0.00 -0.169 F ATOM 23 F LIG 1 10.906 3.148 -0.113 0.00 0.00 -0.169 F ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 2 5 BRANCH 3 24 ATOM 24 C LIG 1 -2.477 -1.476 -0.340 0.00 0.00 +0.137 C BRANCH 24 25 ATOM 25 C LIG 1 -3.647 -0.517 -0.104 0.00 0.00 +0.145 C BRANCH 25 26 ATOM 26 O LIG 1 -3.495 0.107 1.183 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -4.404 0.382 1.428 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -4.997 -1.263 -0.145 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -6.110 -0.387 0.289 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -7.288 -1.216 0.630 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -8.530 -0.410 0.945 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -8.664 0.915 0.496 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -9.837 1.629 0.773 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -10.882 1.024 1.470 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -10.762 -0.295 1.899 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.522 1.582 -0.224 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -9.593 -1.011 1.636 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.492 0.577 -0.760 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 10