REMARK Name = BDB016756 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.736 1.887 -1.309 0.00 0.00 -0.041 A ATOM 2 C LIG 1 5.519 1.062 -2.429 0.00 0.00 +0.031 A ATOM 3 C LIG 1 4.243 0.521 -2.628 0.00 0.00 +0.067 A ATOM 4 C LIG 1 3.170 0.770 -1.783 0.00 0.00 +0.027 A ATOM 5 C LIG 1 2.082 0.026 -2.336 0.00 0.00 +0.093 A ATOM 6 N LIG 1 2.459 -0.635 -3.441 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 3.371 1.618 -0.679 0.00 0.00 +0.012 A ATOM 8 N LIG 1 3.750 -0.305 -3.598 0.00 0.00 -0.276 N ATOM 9 H LIG 1 4.246 -0.688 -4.394 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 4.646 2.166 -0.466 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.469 -0.708 2.458 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.738 -0.048 1.253 0.00 0.00 +0.052 A ATOM 13 C LIG 1 7.449 1.146 1.283 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.891 2.107 0.214 0.00 0.00 +0.081 C ATOM 15 C LIG 1 7.097 2.480 -1.023 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.647 3.175 0.972 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.600 2.834 2.311 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.037 3.388 3.031 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 9.188 4.146 0.470 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 8.351 1.634 -1.134 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.901 1.642 2.515 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.671 1.009 3.717 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.943 -0.181 3.676 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.096 -2.346 1.417 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.763 -1.875 2.583 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.758 -0.017 -1.784 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -0.260 -0.734 -2.292 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -1.606 -0.778 -1.709 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -2.245 0.357 -1.209 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -3.543 0.273 -0.684 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -4.258 -0.934 -0.645 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -3.602 -2.057 -1.171 0.00 0.00 +0.024 A ATOM 33 C LIG 1 -2.304 -1.985 -1.698 0.00 0.00 +0.010 A BRANCH 31 34 ATOM 34 N LIG 1 -5.539 -1.009 -0.127 0.00 0.00 -0.327 N ATOM 35 C LIG 1 -6.060 0.009 0.799 0.00 0.00 +0.120 C ATOM 36 C LIG 1 -7.153 -0.574 1.728 0.00 0.00 +0.103 C ATOM 37 N LIG 1 -8.282 -1.246 1.056 0.00 0.00 -0.297 NA ATOM 38 C LIG 1 -7.921 -1.705 -0.298 0.00 0.00 +0.103 C ATOM 39 C LIG 1 -6.439 -2.130 -0.440 0.00 0.00 +0.120 C BRANCH 37 40 ATOM 40 C LIG 1 -9.561 -0.527 1.165 0.00 0.00 +0.051 C ATOM 41 C LIG 1 -10.733 -1.391 0.685 0.00 0.00 +0.024 C ATOM 42 C LIG 1 -9.599 0.840 0.468 0.00 0.00 +0.024 C ENDBRANCH 37 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6