REMARK Name = BDB021482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.169 -0.451 -2.002 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.574 -1.327 -1.367 0.00 0.00 +0.250 C ATOM 3 N LIG 1 -1.308 -2.345 -0.763 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -0.741 -3.305 0.169 0.00 0.00 +0.149 C ATOM 5 C LIG 1 0.432 -4.022 -0.459 0.00 0.00 +0.248 C ATOM 6 O LIG 1 1.639 -3.347 -0.156 0.00 0.00 -0.490 OA ATOM 7 C LIG 1 1.846 -2.126 -0.729 0.00 0.00 +0.136 A ATOM 8 C LIG 1 3.222 -1.800 -0.695 0.00 0.00 +0.092 A ATOM 9 C LIG 1 3.709 -0.605 -1.216 0.00 0.00 +0.124 A ATOM 10 C LIG 1 2.810 0.284 -1.782 0.00 0.00 +0.046 A ATOM 11 C LIG 1 1.446 -0.019 -1.807 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.924 -1.223 -1.276 0.00 0.00 +0.079 A ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 -2.774 -2.210 -0.755 0.00 0.00 +0.140 C BRANCH 13 14 ATOM 14 C LIG 1 -3.278 -1.338 0.407 0.00 0.00 +0.146 C BRANCH 14 15 ATOM 15 O LIG 1 -3.163 -2.067 1.643 0.00 0.00 -0.389 OA ATOM 16 H LIG 1 -3.797 -1.620 2.242 0.00 0.00 +0.210 HD ENDBRANCH 14 15 BRANCH 14 17 ATOM 17 C LIG 1 -4.762 -0.956 0.206 0.00 0.00 +0.117 C BRANCH 17 18 ATOM 18 N LIG 1 -5.314 -0.303 1.418 0.00 0.00 -0.295 NA ATOM 19 C LIG 1 -4.889 1.109 1.541 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -5.593 2.077 0.613 0.00 0.00 -0.030 A ATOM 21 C LIG 1 -6.851 1.768 0.064 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -7.497 2.698 -0.762 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.909 3.934 -1.026 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.671 4.249 -0.470 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -7.474 0.417 0.307 0.00 0.00 +0.051 C ATOM 26 C LIG 1 -5.017 3.328 0.348 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -6.789 -0.354 1.444 0.00 0.00 +0.089 C ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 13 14 ENDBRANCH 3 13 BRANCH 9 28 ATOM 28 O LIG 1 5.013 -0.201 -1.239 0.00 0.00 -0.491 OA BRANCH 28 29 ATOM 29 C LIG 1 5.965 -1.027 -0.567 0.00 0.00 +0.244 C BRANCH 29 30 ATOM 30 C LIG 1 7.361 -0.375 -0.633 0.00 0.00 +0.125 C BRANCH 30 31 ATOM 31 N LIG 1 7.662 0.717 0.305 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 7.624 0.342 1.728 0.00 0.00 +0.112 C ATOM 33 C LIG 1 6.521 1.060 2.525 0.00 0.00 +0.175 C ATOM 34 O LIG 1 6.612 2.488 2.452 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 7.112 2.959 1.191 0.00 0.00 +0.175 C ATOM 36 C LIG 1 6.910 1.955 0.045 0.00 0.00 +0.112 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 9