REMARK Name = BDB011856 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.573 0.007 0.159 0.00 0.00 +0.180 C ATOM 2 C LIG 1 0.921 0.700 -1.050 0.00 0.00 +0.108 C ATOM 3 C LIG 1 1.739 0.637 -2.347 0.00 0.00 +0.031 C ATOM 4 N LIG 1 0.511 2.027 -0.596 0.00 0.00 -0.265 N ATOM 5 C LIG 1 1.406 3.089 -0.811 0.00 0.00 +0.217 C ATOM 6 O LIG 1 1.879 3.358 -1.916 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 1.841 3.888 0.400 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -0.542 2.101 0.392 0.00 0.00 +0.058 A ATOM 9 C LIG 1 -1.077 1.017 1.155 0.00 0.00 +0.058 A ATOM 10 C LIG 1 -2.046 1.363 2.130 0.00 0.00 +0.025 A ATOM 11 C LIG 1 -2.562 2.651 2.291 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -2.124 3.663 1.467 0.00 0.00 +0.002 A ATOM 13 N LIG 1 -0.732 -0.402 1.063 0.00 0.00 -0.264 N ATOM 14 C LIG 1 -1.132 3.386 0.533 0.00 0.00 +0.025 A ATOM 15 C LIG 1 0.508 -0.929 0.693 0.00 0.00 +0.242 C ATOM 16 O LIG 1 0.765 -2.141 0.758 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 4.028 -0.210 0.010 0.00 0.00 +0.230 C ATOM 18 N LIG 1 2.779 -0.770 -0.128 0.00 0.00 -0.301 N ATOM 19 H LIG 1 2.668 -1.779 -0.105 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 4.176 0.994 0.231 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 5.226 -1.167 -0.232 0.00 0.00 +0.137 C ATOM 22 C LIG 1 5.139 -2.426 0.626 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 7.561 -0.787 -0.802 0.00 0.00 +0.101 C ATOM 24 N LIG 1 6.476 -0.450 0.108 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 6.283 0.557 0.040 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 13 26 ATOM 26 C LIG 1 -1.751 -1.421 1.452 0.00 0.00 +0.153 C BRANCH 26 27 ATOM 27 C LIG 1 -3.086 -1.333 0.709 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -3.159 -1.484 -0.715 0.00 0.00 -0.010 A ATOM 29 C LIG 1 -4.402 -1.278 -1.363 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -4.505 -1.376 -2.762 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -3.400 -1.706 -3.541 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -2.183 -1.958 -2.928 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.543 -0.990 -0.610 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -5.487 -0.934 0.781 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -2.070 -1.856 -1.538 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -4.276 -1.121 1.447 0.00 0.00 +0.125 A BRANCH 36 37 ATOM 37 O LIG 1 -4.155 -1.113 2.814 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -5.348 -1.045 3.586 0.00 0.00 +0.277 C ENDBRANCH 36 37 ENDBRANCH 26 27 ENDBRANCH 13 26 TORSDOF 6