REMARK Name = BDB000299 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.394 -0.959 0.309 0.00 0.00 -0.011 A ATOM 2 C LIG 1 1.365 -0.028 0.550 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.009 -0.397 0.513 0.00 0.00 +0.079 A ATOM 4 N LIG 1 -1.040 0.542 0.717 0.00 0.00 -0.263 N ATOM 5 C LIG 1 -2.370 0.146 0.595 0.00 0.00 +0.268 C ATOM 6 C LIG 1 -2.621 -1.388 0.593 0.00 0.00 +0.208 C ATOM 7 O LIG 1 -1.564 -2.229 0.126 0.00 0.00 -0.470 OA ATOM 8 C LIG 1 -2.849 -1.796 2.064 0.00 0.00 +0.071 C ATOM 9 O LIG 1 -3.294 0.964 0.568 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.299 -1.729 0.225 0.00 0.00 +0.144 A ATOM 11 C LIG 1 0.711 -2.663 -0.019 0.00 0.00 +0.048 A ATOM 12 C LIG 1 2.050 -2.284 0.027 0.00 0.00 +0.012 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 4.478 -0.015 -0.744 0.00 0.00 +0.056 A ATOM 14 C LIG 1 3.803 -0.544 0.355 0.00 0.00 +0.043 A ATOM 15 C LIG 1 4.567 -0.640 1.522 0.00 0.00 +0.129 A ATOM 16 N LIG 1 5.854 -0.271 1.585 0.00 0.00 -0.199 NA ATOM 17 C LIG 1 6.412 0.198 0.473 0.00 0.00 +0.214 A ATOM 18 N LIG 1 5.776 0.362 -0.686 0.00 0.00 -0.219 NA BRANCH 15 19 ATOM 19 N LIG 1 4.016 -1.141 2.716 0.00 0.00 -0.343 N ATOM 20 H LIG 1 3.691 -2.091 2.567 0.00 0.00 +0.144 HD ATOM 21 H LIG 1 3.212 -0.582 2.984 0.00 0.00 +0.144 HD ENDBRANCH 15 19 BRANCH 17 22 ATOM 22 N LIG 1 7.733 0.588 0.536 0.00 0.00 -0.327 N ATOM 23 H LIG 1 7.976 0.794 1.495 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 7.919 1.296 -0.158 0.00 0.00 +0.145 HD ENDBRANCH 17 22 BRANCH 13 26 ATOM 25 C LIG 1 4.073 -1.057 -2.992 0.00 0.00 +0.010 C ATOM 26 C LIG 1 3.834 0.152 -2.100 0.00 0.00 +0.053 C ENDBRANCH 13 26 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 -3.827 -1.706 -0.316 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -5.145 -1.795 0.171 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -6.229 -2.067 -0.685 0.00 0.00 +0.055 A ATOM 30 C LIG 1 -5.991 -2.229 -2.056 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -4.698 -2.127 -2.561 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -3.630 -1.864 -1.702 0.00 0.00 +0.008 A BRANCH 29 33 ATOM 33 C LIG 1 -7.636 -2.142 -0.143 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -8.290 -0.951 -0.224 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -8.414 -3.042 -0.807 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -7.687 -2.509 1.169 0.00 0.00 -0.166 F ENDBRANCH 29 33 ENDBRANCH 6 27 BRANCH 4 37 ATOM 37 C LIG 1 -0.770 1.972 0.893 0.00 0.00 +0.132 C BRANCH 37 38 ATOM 38 C LIG 1 -0.694 2.722 -0.447 0.00 0.00 +0.123 C BRANCH 38 39 ATOM 39 N LIG 1 0.190 3.879 -0.442 0.00 0.00 -0.314 N ATOM 40 H LIG 1 0.659 4.098 -1.312 0.00 0.00 +0.149 HD ATOM 41 C LIG 1 0.015 4.915 0.449 0.00 0.00 +0.210 C ATOM 42 O LIG 1 -0.776 4.881 1.384 0.00 0.00 -0.276 OA ATOM 43 C LIG 1 0.888 6.112 0.183 0.00 0.00 +0.109 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 4 37 TORSDOF 9