REMARK Name = BDB011574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.097 0.735 -0.001 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.991 0.556 1.225 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.968 1.395 2.134 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.972 -0.439 1.142 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.552 -1.833 1.304 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.229 -2.300 1.041 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.121 -3.623 1.401 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.797 -4.504 1.961 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.096 -4.083 2.160 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.757 -1.557 0.299 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.124 -1.689 0.593 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.577 -2.151 1.640 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.460 -2.773 1.835 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.245 -0.584 -0.666 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.126 -1.267 -0.411 0.00 0.00 +0.038 A ATOM 16 C LIG 1 4.152 -0.402 -0.022 0.00 0.00 +0.024 A ATOM 17 C LIG 1 5.141 -0.034 -0.942 0.00 0.00 +0.018 A ATOM 18 C LIG 1 5.101 -0.549 -2.245 0.00 0.00 +0.011 A ATOM 19 C LIG 1 4.091 -1.440 -2.619 0.00 0.00 +0.001 A ATOM 20 C LIG 1 3.110 -1.811 -1.700 0.00 0.00 +0.013 A BRANCH 17 21 ATOM 21 C LIG 1 6.207 0.909 -0.497 0.00 0.00 +0.160 C ATOM 22 O LIG 1 6.078 1.518 0.564 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 7.415 1.114 -1.373 0.00 0.00 +0.091 C ENDBRANCH 17 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 1.768 2.262 -0.533 0.00 0.00 +0.230 C ATOM 25 N LIG 1 1.067 1.532 0.399 0.00 0.00 -0.301 N ATOM 26 H LIG 1 1.058 1.849 1.365 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 1.634 2.051 -1.741 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 2.792 3.293 0.024 0.00 0.00 +0.137 C ATOM 29 C LIG 1 2.193 4.168 1.123 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 4.598 4.604 -0.947 0.00 0.00 +0.101 C ATOM 31 N LIG 1 3.218 4.164 -1.097 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 3.131 3.620 -1.962 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 -3.274 0.014 1.675 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 -4.541 -0.489 0.979 0.00 0.00 -0.019 A ATOM 35 C LIG 1 -4.680 -0.473 -0.449 0.00 0.00 -0.013 A ATOM 36 C LIG 1 -5.834 -1.053 -1.035 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -5.985 -1.095 -2.432 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -5.026 -0.543 -3.276 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -3.911 0.071 -2.729 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -6.846 -1.573 -0.224 0.00 0.00 +0.009 A ATOM 41 C LIG 1 -6.758 -1.496 1.161 0.00 0.00 +0.004 A ATOM 42 C LIG 1 -3.749 0.110 -1.341 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -5.631 -0.938 1.776 0.00 0.00 -0.045 A ATOM 44 C LIG 1 -5.627 -0.856 3.283 0.00 0.00 +0.044 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 7