REMARK Name = BDB020143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.646 -0.933 0.016 0.00 0.00 -0.015 A ATOM 2 C LIG 1 0.550 -0.209 -0.067 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.677 1.013 0.602 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.386 1.498 1.377 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.589 0.782 1.474 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.709 -0.432 0.781 0.00 0.00 +0.014 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 0.538 -3.520 1.067 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -0.213 -3.489 -0.233 0.00 0.00 -0.036 A ATOM 9 C LIG 1 -0.783 -2.218 -0.695 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.481 -2.203 -1.847 0.00 0.00 +0.094 A ATOM 11 N LIG 1 -1.652 -3.344 -2.587 0.00 0.00 -0.329 N ATOM 12 H LIG 1 -2.183 -3.319 -3.450 0.00 0.00 +0.168 HD ATOM 13 C LIG 1 -1.146 -4.569 -2.235 0.00 0.00 +0.249 A ATOM 14 O LIG 1 -1.304 -5.576 -2.914 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -0.383 -4.606 -0.964 0.00 0.00 +0.074 A ENDBRANCH 1 9 BRANCH 3 16 ATOM 16 C LIG 1 1.928 1.816 0.548 0.00 0.00 +0.244 C ATOM 17 N LIG 1 2.676 1.715 -0.603 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.360 1.144 -1.373 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 2.233 2.533 1.495 0.00 0.00 -0.270 OA BRANCH 17 20 ATOM 20 C LIG 1 3.953 2.377 -0.741 0.00 0.00 +0.140 C BRANCH 20 21 ATOM 21 C LIG 1 5.079 1.411 -0.474 0.00 0.00 -0.029 A ATOM 22 C LIG 1 5.721 0.746 -1.529 0.00 0.00 +0.026 A ATOM 23 C LIG 1 6.747 -0.172 -1.272 0.00 0.00 +0.060 A ATOM 24 CL LIG 1 7.486 -0.945 -2.630 0.00 0.00 -0.082 Cl ATOM 25 C LIG 1 7.136 -0.435 0.045 0.00 0.00 +0.059 A ATOM 26 CL LIG 1 8.391 -1.556 0.435 0.00 0.00 -0.082 Cl ATOM 27 C LIG 1 6.494 0.218 1.101 0.00 0.00 +0.022 A ATOM 28 C LIG 1 5.471 1.132 0.843 0.00 0.00 +0.007 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 3 16 BRANCH 5 29 ATOM 29 C LIG 1 -2.743 1.325 2.288 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -3.791 1.834 1.430 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -4.938 1.134 1.035 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -5.362 -0.025 1.390 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -4.726 -0.437 2.070 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -5.572 1.997 0.137 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -6.867 1.727 -0.435 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -4.855 3.177 0.024 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -3.766 3.074 0.797 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 6