REMARK Name = BDB051398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.261 0.416 -2.091 0.00 0.00 +0.008 C ATOM 2 C LIG 1 -4.162 0.525 -0.553 0.00 0.00 -0.003 C ATOM 3 C LIG 1 -3.091 -0.510 -0.012 0.00 0.00 +0.035 C ATOM 4 C LIG 1 -3.617 -1.330 1.217 0.00 0.00 +0.074 C ATOM 5 C LIG 1 -2.516 -2.143 1.951 0.00 0.00 +0.019 C ATOM 6 C LIG 1 -1.145 -2.091 1.276 0.00 0.00 +0.012 C ATOM 7 C LIG 1 -0.638 -0.646 1.030 0.00 0.00 -0.005 C ATOM 8 C LIG 1 0.821 -0.654 0.318 0.00 0.00 -0.019 C ATOM 9 C LIG 1 1.252 0.813 0.024 0.00 0.00 +0.006 C ATOM 10 C LIG 1 2.809 1.117 -0.316 0.00 0.00 -0.015 C ATOM 11 C LIG 1 3.824 -0.138 -0.180 0.00 0.00 +0.012 C ATOM 12 C LIG 1 3.243 -1.392 0.530 0.00 0.00 +0.006 C ATOM 13 C LIG 1 2.926 1.874 -1.657 0.00 0.00 +0.012 C ATOM 14 C LIG 1 0.205 1.520 -0.864 0.00 0.00 +0.031 C ATOM 15 C LIG 1 -1.222 1.090 -0.663 0.00 0.00 -0.026 C ATOM 16 C LIG 1 0.748 -1.476 -0.997 0.00 0.00 +0.012 C ATOM 17 C LIG 1 1.913 -1.229 1.241 0.00 0.00 +0.008 C ATOM 18 C LIG 1 -0.588 0.093 2.402 0.00 0.00 +0.016 C ATOM 19 C LIG 1 -4.315 -0.362 2.197 0.00 0.00 +0.019 C ATOM 20 C LIG 1 -5.509 0.388 1.609 0.00 0.00 +0.004 C ATOM 21 C LIG 1 -1.655 0.088 0.132 0.00 0.00 -0.063 C ATOM 22 C LIG 1 -5.571 0.387 0.078 0.00 0.00 -0.011 C ATOM 23 C LIG 1 -6.542 1.482 -0.386 0.00 0.00 +0.008 C ENDROOT BRANCH 11 24 ATOM 24 C LIG 1 4.798 -0.576 -1.377 0.00 0.00 +0.065 C ATOM 25 C LIG 1 4.059 -1.316 -2.518 0.00 0.00 +0.023 C ATOM 26 C LIG 1 5.871 -1.576 -0.852 0.00 0.00 +0.023 C BRANCH 24 27 ATOM 27 C LIG 1 5.618 0.548 -2.033 0.00 0.00 +0.311 C ATOM 28 O LIG 1 5.576 0.811 -3.228 0.00 0.00 -0.250 OA BRANCH 27 29 ATOM 29 O LIG 1 6.436 1.240 -1.222 0.00 0.00 -0.480 OA ATOM 30 H LIG 1 6.344 1.120 -0.250 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 24 27 ENDBRANCH 11 24 BRANCH 4 31 ATOM 31 C LIG 1 -4.585 -2.414 0.713 0.00 0.00 +0.312 C ATOM 32 O LIG 1 -4.515 -3.022 -0.343 0.00 0.00 -0.250 OA BRANCH 31 33 ATOM 33 O LIG 1 -5.553 -2.741 1.595 0.00 0.00 -0.480 OA ATOM 34 H LIG 1 -6.053 -3.446 1.135 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 4 31 BRANCH 10 35 ATOM 35 C LIG 1 3.216 2.181 0.800 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 4.608 2.771 0.723 0.00 0.00 +0.305 C ATOM 37 O LIG 1 5.618 2.153 1.037 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 4.650 4.035 0.270 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 3.785 4.420 0.026 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 10 35 TORSDOF 8