REMARK Name = BDB064896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.300 -1.818 -0.770 0.00 0.00 +0.138 C ENDROOT BRANCH 1 7 ATOM 2 C LIG 1 4.019 1.114 2.680 0.00 0.00 +0.127 A ATOM 3 C LIG 1 2.953 0.662 1.884 0.00 0.00 +0.047 A ATOM 4 C LIG 1 3.204 -0.245 0.827 0.00 0.00 +0.140 A ATOM 5 O LIG 1 2.100 -0.732 0.175 0.00 0.00 -0.455 OA ATOM 6 C LIG 1 2.236 -1.607 -0.874 0.00 0.00 +0.140 A ATOM 7 C LIG 1 1.036 -2.123 -1.423 0.00 0.00 +0.045 A ATOM 8 C LIG 1 1.103 -2.989 -2.534 0.00 0.00 +0.127 A ATOM 9 C LIG 1 2.344 -3.319 -3.075 0.00 0.00 +0.046 A ATOM 10 C LIG 1 3.515 -2.834 -2.497 0.00 0.00 +0.012 A ATOM 11 C LIG 1 3.484 -1.987 -1.376 0.00 0.00 +0.005 A ATOM 12 C LIG 1 4.775 -1.538 -0.693 0.00 0.00 +0.022 C ATOM 13 C LIG 1 5.650 -0.777 -1.718 0.00 0.00 +0.021 C ATOM 14 C LIG 1 5.529 -2.795 -0.202 0.00 0.00 +0.021 C ATOM 15 C LIG 1 4.507 -0.624 0.498 0.00 0.00 +0.005 A ATOM 16 C LIG 1 5.559 -0.122 1.284 0.00 0.00 +0.012 A ATOM 17 C LIG 1 5.318 0.726 2.367 0.00 0.00 +0.046 A BRANCH 2 19 ATOM 18 C LIG 1 4.646 2.027 4.781 0.00 0.00 +0.277 C ATOM 19 O LIG 1 3.704 1.955 3.716 0.00 0.00 -0.495 OA ENDBRANCH 2 19 BRANCH 8 20 ATOM 20 O LIG 1 -0.090 -3.467 -3.009 0.00 0.00 -0.495 OA ATOM 21 C LIG 1 -0.048 -4.430 -4.054 0.00 0.00 +0.277 C ENDBRANCH 8 20 BRANCH 3 22 ATOM 22 C LIG 1 1.542 1.144 2.154 0.00 0.00 +0.163 C BRANCH 22 23 ATOM 23 C LIG 1 0.679 0.168 2.925 0.00 0.00 +0.309 C ATOM 24 O LIG 1 1.018 -0.927 3.349 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.577 0.643 3.135 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -0.701 1.547 2.747 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 ENDBRANCH 1 7 BRANCH 1 27 ATOM 27 C LIG 1 -0.883 -0.443 -1.060 0.00 0.00 +0.222 C ATOM 28 N LIG 1 -2.032 -0.401 -1.828 0.00 0.00 -0.270 N ATOM 29 C LIG 1 -2.821 0.811 -1.881 0.00 0.00 +0.201 C ATOM 30 N LIG 1 -3.538 0.718 -3.125 0.00 0.00 -0.280 N ATOM 31 C LIG 1 -4.288 1.823 -3.670 0.00 0.00 +0.134 C ATOM 32 C LIG 1 -3.195 -0.415 -3.834 0.00 0.00 +0.234 C ATOM 33 O LIG 1 -3.598 -0.721 -4.946 0.00 0.00 -0.274 OA ATOM 34 C LIG 1 -2.227 -1.233 -3.003 0.00 0.00 +0.205 C ATOM 35 O LIG 1 -0.410 0.580 -0.565 0.00 0.00 -0.275 OA BRANCH 29 36 ATOM 36 C LIG 1 -3.762 0.873 -0.678 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -3.533 1.768 0.387 0.00 0.00 +0.169 A ATOM 38 C LIG 1 -4.325 1.689 1.549 0.00 0.00 +0.164 A ATOM 39 C LIG 1 -5.419 0.819 1.608 0.00 0.00 +0.082 A ATOM 40 C LIG 1 -5.678 -0.034 0.534 0.00 0.00 +0.130 A ATOM 41 C LIG 1 -4.849 -0.027 -0.592 0.00 0.00 +0.043 A BRANCH 40 42 ATOM 42 N LIG 1 -6.817 -0.959 0.599 0.00 0.00 +0.057 N ATOM 43 O LIG 1 -6.973 -1.745 -0.346 0.00 0.00 -0.126 OA ATOM 44 O LIG 1 -7.558 -0.898 1.591 0.00 0.00 -0.126 OA ENDBRANCH 40 42 BRANCH 38 45 ATOM 45 O LIG 1 -4.030 2.484 2.627 0.00 0.00 -0.491 OA ATOM 46 C LIG 1 -3.844 1.732 3.832 0.00 0.00 +0.277 C ENDBRANCH 38 45 BRANCH 37 47 ATOM 47 O LIG 1 -2.465 2.608 0.222 0.00 0.00 -0.477 OA BRANCH 47 48 ATOM 48 C LIG 1 -2.537 3.915 0.782 0.00 0.00 +0.349 C BRANCH 48 49 ATOM 49 C LIG 1 -1.600 4.044 1.968 0.00 0.00 +0.343 C ATOM 50 O LIG 1 -0.927 3.162 2.482 0.00 0.00 -0.247 OA BRANCH 49 51 ATOM 51 O LIG 1 -1.544 5.305 2.445 0.00 0.00 -0.478 OA ATOM 52 H LIG 1 -0.900 5.268 3.180 0.00 0.00 +0.295 HD ENDBRANCH 49 51 ENDBRANCH 48 49 ENDBRANCH 47 48 ENDBRANCH 37 47 ENDBRANCH 29 36 ENDBRANCH 1 27 TORSDOF 14