REMARK Name = BDB032109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.652 0.884 -0.509 0.00 0.00 +0.069 A ATOM 2 C LIG 1 0.156 1.087 0.783 0.00 0.00 +0.146 A ATOM 3 F LIG 1 1.017 1.284 1.796 0.00 0.00 -0.203 F ATOM 4 C LIG 1 -1.211 1.093 1.056 0.00 0.00 +0.063 A ATOM 5 C LIG 1 -2.128 0.886 0.024 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -1.643 0.683 -1.271 0.00 0.00 +0.025 A ATOM 7 C LIG 1 -0.264 0.682 -1.537 0.00 0.00 +0.028 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 2.774 0.750 -1.835 0.00 0.00 +0.220 C ATOM 9 N LIG 1 2.054 0.900 -0.668 0.00 0.00 -0.283 N ATOM 10 H LIG 1 2.570 1.057 0.191 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 2.299 0.573 -2.953 0.00 0.00 -0.275 OA BRANCH 8 14 ATOM 12 C LIG 1 6.233 -0.281 -0.446 0.00 0.00 +0.074 C ATOM 13 C LIG 1 4.784 -0.455 -0.902 0.00 0.00 +0.035 C ATOM 14 C LIG 1 4.293 0.793 -1.649 0.00 0.00 +0.077 C ATOM 15 C LIG 1 4.778 2.111 -1.020 0.00 0.00 +0.013 C ATOM 16 C LIG 1 5.270 1.944 0.414 0.00 0.00 +0.003 C ATOM 17 C LIG 1 6.375 0.894 0.537 0.00 0.00 +0.022 C BRANCH 12 19 ATOM 18 C LIG 1 8.087 -1.740 0.278 0.00 0.00 +0.237 C ATOM 19 N LIG 1 6.742 -1.513 0.135 0.00 0.00 -0.309 N ATOM 20 H LIG 1 6.089 -2.236 0.401 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 8.963 -0.967 -0.090 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 7.714 -3.744 1.748 0.00 0.00 +0.013 C ATOM 23 C LIG 1 8.457 -3.046 0.878 0.00 0.00 +0.059 C ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 8 14 ENDBRANCH 1 9 BRANCH 5 24 ATOM 24 N LIG 1 -3.497 0.909 0.361 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -3.711 1.067 1.338 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -4.572 0.638 -0.476 0.00 0.00 +0.267 C ATOM 27 O LIG 1 -4.520 0.276 -1.644 0.00 0.00 -0.268 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.909 0.803 0.174 0.00 0.00 +0.126 A ATOM 29 N LIG 1 -6.764 -0.241 0.046 0.00 0.00 -0.241 NA ATOM 30 C LIG 1 -7.979 -0.113 0.625 0.00 0.00 +0.089 A ATOM 31 C LIG 1 -8.365 1.017 1.336 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -7.467 2.076 1.454 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -6.213 1.974 0.862 0.00 0.00 +0.033 A BRANCH 30 34 ATOM 34 C LIG 1 -8.845 -1.264 0.439 0.00 0.00 +0.084 A ATOM 35 N LIG 1 -8.467 -2.328 -0.342 0.00 0.00 -0.275 N ATOM 36 H LIG 1 -7.593 -2.422 -0.851 0.00 0.00 +0.189 HD ATOM 37 N LIG 1 -9.380 -3.315 -0.404 0.00 0.00 -0.182 NA ATOM 38 C LIG 1 -10.380 -2.861 0.352 0.00 0.00 +0.135 A ATOM 39 C LIG 1 -10.105 -1.594 0.900 0.00 0.00 +0.050 A ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 5 24 TORSDOF 7