REMARK Name = BDB026966 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.918 0.531 0.119 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.084 1.336 -0.803 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 4.398 1.073 -0.678 0.00 0.00 -0.013 A ATOM 4 C LIG 1 4.076 0.286 0.440 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.721 0.082 0.744 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.683 0.623 -0.013 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.443 0.205 0.582 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.781 -0.562 1.684 0.00 0.00 +0.095 A ATOM 9 C LIG 1 2.023 1.411 -1.132 0.00 0.00 +0.011 A ATOM 10 N LIG 1 2.146 -0.632 1.768 0.00 0.00 -0.360 N ATOM 11 H LIG 1 2.663 -1.135 2.477 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 3.372 1.628 -1.450 0.00 0.00 +0.009 A BRANCH 3 16 ATOM 13 N LIG 1 7.951 1.067 -1.314 0.00 0.00 -0.271 N ATOM 14 N LIG 1 7.707 2.283 -1.834 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 6.391 2.436 -1.664 0.00 0.00 +0.142 A ATOM 16 C LIG 1 5.785 1.325 -1.033 0.00 0.00 +0.020 A ATOM 17 C LIG 1 6.834 0.452 -0.824 0.00 0.00 +0.116 A BRANCH 13 19 ATOM 18 C LIG 1 10.121 1.028 -0.151 0.00 0.00 +0.029 C ATOM 19 C LIG 1 9.299 0.534 -1.328 0.00 0.00 +0.140 C ENDBRANCH 13 19 ENDBRANCH 3 16 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.136 -0.107 0.846 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -2.222 -1.627 0.769 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -2.885 -2.326 1.793 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -2.994 -3.717 1.755 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.451 -4.429 0.689 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.808 -3.751 -0.344 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -1.700 -2.359 -0.310 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.412 0.574 0.476 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -3.204 1.573 0.406 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.978 0.140 -0.810 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -5.170 1.017 -1.233 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -6.393 0.844 -0.361 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -7.239 -0.261 -0.537 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -8.363 -0.428 0.275 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -8.645 0.508 1.267 0.00 0.00 +0.041 A ATOM 35 CL LIG 1 -10.029 0.301 2.269 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 -7.813 1.609 1.456 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -6.689 1.776 0.644 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 9