REMARK Name = BDB004899 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.865 -0.220 1.128 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.064 -1.283 0.707 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.356 -2.085 1.629 0.00 0.00 -0.026 A ATOM 4 C LIG 1 0.467 -1.787 2.993 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.263 -0.727 3.424 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.959 0.050 2.497 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 2.647 0.546 -1.126 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.603 0.608 0.255 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.109 1.361 0.700 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 2.019 -0.210 -1.857 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 5.238 3.391 -3.043 0.00 0.00 +0.155 A ATOM 12 C LIG 1 4.002 3.035 -3.596 0.00 0.00 +0.165 A ATOM 13 F LIG 1 3.601 3.585 -4.753 0.00 0.00 -0.202 F ATOM 14 C LIG 1 3.163 2.114 -2.975 0.00 0.00 +0.055 A ATOM 15 C LIG 1 3.554 1.537 -1.766 0.00 0.00 +0.040 A ATOM 16 C LIG 1 4.796 1.869 -1.206 0.00 0.00 +0.017 A ATOM 17 C LIG 1 5.632 2.796 -1.842 0.00 0.00 +0.049 A BRANCH 11 19 ATOM 18 C LIG 1 7.237 4.675 -3.237 0.00 0.00 +0.277 C ATOM 19 O LIG 1 5.965 4.305 -3.754 0.00 0.00 -0.492 OA ENDBRANCH 11 19 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 -0.497 -3.228 1.096 0.00 0.00 +0.099 C ATOM 21 C LIG 1 -0.907 -4.328 2.080 0.00 0.00 +0.033 C BRANCH 20 22 ATOM 22 N LIG 1 -1.628 -2.738 0.300 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -2.024 -3.473 -0.276 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -2.665 -1.991 0.880 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -3.632 -1.393 0.042 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -4.667 -0.677 0.675 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -5.650 -0.087 -0.147 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -5.596 -0.199 -1.550 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -4.563 -0.887 -2.164 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -4.697 -0.570 2.022 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -3.714 -1.153 2.717 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -3.587 -1.477 -1.373 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -2.707 -1.861 2.212 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -6.809 0.693 0.391 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -7.697 1.113 -0.343 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -6.864 0.937 1.731 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -7.664 1.423 2.107 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -6.170 0.541 2.358 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 7