REMARK Name = BDB000024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.751 1.902 -0.322 0.00 0.00 +0.044 A ATOM 2 C LIG 1 1.971 1.298 -0.045 0.00 0.00 +0.071 A ATOM 3 C LIG 1 2.298 -0.112 0.169 0.00 0.00 +0.256 C ATOM 4 N LIG 1 3.636 -0.176 0.452 0.00 0.00 -0.222 N ATOM 5 C LIG 1 4.222 1.056 0.356 0.00 0.00 +0.255 C ATOM 6 O LIG 1 5.396 1.357 0.460 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 1.495 -1.024 0.088 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 3.154 2.009 0.065 0.00 0.00 +0.051 A ATOM 9 C LIG 1 3.208 3.376 -0.102 0.00 0.00 +0.014 A ATOM 10 C LIG 1 2.005 4.022 -0.390 0.00 0.00 +0.003 A ATOM 11 C LIG 1 0.798 3.294 -0.495 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 4.353 -1.435 0.579 0.00 0.00 +0.171 C ATOM 13 C LIG 1 5.026 -1.772 -0.757 0.00 0.00 +0.240 C ATOM 14 O LIG 1 4.661 -1.321 -1.841 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 6.053 -2.687 -0.692 0.00 0.00 -0.255 N ATOM 16 H LIG 1 6.490 -2.921 -1.573 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.653 -3.202 0.430 0.00 0.00 +0.219 C ATOM 18 O LIG 1 7.613 -3.961 0.343 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 6.031 -2.836 1.759 0.00 0.00 +0.098 C ATOM 20 C LIG 1 5.382 -1.461 1.706 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -0.425 1.146 -0.371 0.00 0.00 -0.311 N ATOM 22 H LIG 1 -0.274 0.148 -0.551 0.00 0.00 +0.152 HD BRANCH 21 28 ATOM 23 C LIG 1 -7.039 2.068 -0.298 0.00 0.00 +0.173 C ATOM 24 N LIG 1 -5.765 2.587 0.138 0.00 0.00 -0.267 N ATOM 25 C LIG 1 -4.531 2.034 -0.103 0.00 0.00 +0.072 A ATOM 26 C LIG 1 -3.622 2.887 0.515 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -2.243 2.604 0.446 0.00 0.00 +0.038 A ATOM 28 C LIG 1 -1.794 1.461 -0.234 0.00 0.00 +0.075 A ATOM 29 C LIG 1 -2.752 0.613 -0.825 0.00 0.00 +0.151 A ATOM 30 C LIG 1 -4.420 3.895 1.097 0.00 0.00 +0.143 A ATOM 31 C LIG 1 -4.130 0.885 -0.792 0.00 0.00 +0.076 A ATOM 32 N LIG 1 -5.724 3.717 0.873 0.00 0.00 -0.179 NA BRANCH 29 33 ATOM 33 O LIG 1 -2.287 -0.492 -1.520 0.00 0.00 -0.454 OA BRANCH 33 34 ATOM 34 C LIG 1 -2.781 -1.720 -1.138 0.00 0.00 +0.129 A ATOM 35 C LIG 1 -2.910 -2.107 0.198 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -3.390 -3.381 0.506 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -3.725 -4.269 -0.517 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.573 -3.888 -1.850 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -3.093 -2.615 -2.161 0.00 0.00 +0.046 A ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 21 28 ENDBRANCH 1 21 TORSDOF 5