REMARK Name = BDB017362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.208 -1.947 -0.367 0.00 0.00 -0.314 N ATOM 2 H LIG 1 -0.322 -2.600 0.407 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -0.968 -2.412 -1.476 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -2.378 -2.321 -1.497 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.018 -2.960 -2.571 0.00 0.00 +0.143 A ATOM 6 N LIG 1 -4.404 -2.970 -2.651 0.00 0.00 -0.307 N ATOM 7 H LIG 1 -4.812 -3.461 -3.431 0.00 0.00 +0.170 HD ATOM 8 C LIG 1 -5.231 -2.406 -1.734 0.00 0.00 +0.255 A ATOM 9 C LIG 1 -4.580 -1.685 -0.609 0.00 0.00 +0.035 A ATOM 10 C LIG 1 -5.531 -1.034 0.365 0.00 0.00 +0.125 C ATOM 11 N LIG 1 -4.873 -0.604 1.609 0.00 0.00 -0.294 NA ATOM 12 C LIG 1 -3.654 0.145 1.312 0.00 0.00 +0.090 C ATOM 13 C LIG 1 -2.636 -0.763 0.594 0.00 0.00 +0.052 C ATOM 14 O LIG 1 -6.452 -2.471 -1.842 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -2.398 -3.621 -3.573 0.00 0.00 -0.237 NA ATOM 16 C LIG 1 -1.058 -3.687 -3.514 0.00 0.00 +0.115 A ATOM 17 C LIG 1 -3.235 -1.611 -0.506 0.00 0.00 -0.024 A ATOM 18 C LIG 1 -0.315 -3.124 -2.495 0.00 0.00 +0.043 A BRANCH 11 19 ATOM 19 C LIG 1 -5.781 0.065 2.548 0.00 0.00 +0.120 C BRANCH 19 20 ATOM 20 C LIG 1 -6.357 1.399 2.122 0.00 0.00 -0.033 A ATOM 21 C LIG 1 -5.678 2.595 2.401 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -6.211 3.824 2.008 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -7.429 3.873 1.334 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -8.118 2.695 1.055 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -7.587 1.465 1.449 0.00 0.00 +0.005 A ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 1 3 BRANCH 1 29 ATOM 26 C LIG 1 3.656 -0.192 -0.314 0.00 0.00 +0.034 A ATOM 27 C LIG 1 2.819 -0.025 -1.421 0.00 0.00 +0.025 A ATOM 28 C LIG 1 1.548 -0.611 -1.452 0.00 0.00 +0.025 A ATOM 29 C LIG 1 1.093 -1.395 -0.387 0.00 0.00 +0.031 A ATOM 30 C LIG 1 1.918 -1.523 0.735 0.00 0.00 +0.025 A ATOM 31 C LIG 1 3.192 -0.939 0.768 0.00 0.00 +0.025 A BRANCH 26 34 ATOM 32 O LIG 1 5.944 -0.364 1.584 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 5.932 0.337 0.581 0.00 0.00 +0.248 C ATOM 34 N LIG 1 4.920 0.433 -0.357 0.00 0.00 -0.282 N ATOM 35 H LIG 1 5.120 0.949 -1.204 0.00 0.00 +0.155 HD BRANCH 33 36 ATOM 36 C LIG 1 7.143 1.157 0.288 0.00 0.00 +0.038 A ATOM 37 C LIG 1 8.399 0.646 0.651 0.00 0.00 +0.028 A ATOM 38 C LIG 1 9.568 1.384 0.406 0.00 0.00 +0.091 A ATOM 39 C LIG 1 9.453 2.636 -0.194 0.00 0.00 +0.135 A ATOM 40 F LIG 1 10.550 3.364 -0.439 0.00 0.00 -0.205 F ATOM 41 C LIG 1 8.211 3.162 -0.543 0.00 0.00 +0.039 A ATOM 42 C LIG 1 7.050 2.426 -0.298 0.00 0.00 +0.016 A BRANCH 38 43 ATOM 43 C LIG 1 10.928 0.870 0.772 0.00 0.00 +0.420 C ATOM 44 F LIG 1 11.567 1.661 1.677 0.00 0.00 -0.166 F ATOM 45 F LIG 1 11.759 0.766 -0.301 0.00 0.00 -0.166 F ATOM 46 F LIG 1 10.896 -0.374 1.330 0.00 0.00 -0.166 F ENDBRANCH 38 43 ENDBRANCH 33 36 ENDBRANCH 26 34 ENDBRANCH 1 29 TORSDOF 7