REMARK Name = BDB049082 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.596 -0.543 1.624 0.00 0.00 +0.044 C ATOM 2 C LIG 1 1.978 0.025 0.377 0.00 0.00 -0.038 A ATOM 3 C LIG 1 2.719 0.263 -0.794 0.00 0.00 +0.040 A ATOM 4 C LIG 1 2.090 0.734 -1.951 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.724 1.017 -1.939 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.035 0.833 -0.774 0.00 0.00 -0.041 A ATOM 7 C LIG 1 0.605 0.331 0.373 0.00 0.00 +0.008 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -1.518 1.153 -0.798 0.00 0.00 +0.051 C ATOM 9 C LIG 1 -2.055 2.074 0.329 0.00 0.00 +0.079 C ATOM 10 C LIG 1 -3.531 1.613 0.501 0.00 0.00 +0.104 C ATOM 11 N LIG 1 -3.716 0.476 -0.412 0.00 0.00 -0.296 NA ATOM 12 C LIG 1 -2.389 -0.099 -0.628 0.00 0.00 +0.094 C BRANCH 9 13 ATOM 13 N LIG 1 -1.896 3.539 0.216 0.00 0.00 -0.304 NA ATOM 14 C LIG 1 -0.514 3.965 0.434 0.00 0.00 +0.104 C ATOM 15 C LIG 1 -2.395 4.096 -1.042 0.00 0.00 +0.104 C ENDBRANCH 9 13 BRANCH 11 16 ATOM 16 C LIG 1 -4.728 -0.469 0.059 0.00 0.00 +0.122 C BRANCH 16 17 ATOM 17 C LIG 1 -5.131 -1.482 -0.992 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -5.928 -1.047 -2.063 0.00 0.00 +0.128 A ATOM 19 F LIG 1 -6.341 0.228 -2.119 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -6.328 -1.910 -3.079 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -5.936 -3.242 -3.042 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -5.151 -3.703 -1.985 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.742 -2.840 -0.951 0.00 0.00 -0.043 A ATOM 24 C LIG 1 -3.911 -3.402 0.170 0.00 0.00 +0.044 C ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 6 8 BRANCH 3 25 ATOM 25 C LIG 1 4.178 0.021 -0.878 0.00 0.00 +0.245 C ATOM 26 N LIG 1 4.937 0.741 0.015 0.00 0.00 -0.307 N ATOM 27 H LIG 1 4.475 1.349 0.677 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 4.629 -0.746 -1.717 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 6.361 0.539 0.144 0.00 0.00 +0.141 C BRANCH 29 30 ATOM 30 C LIG 1 6.667 -0.378 1.291 0.00 0.00 -0.012 A ATOM 31 C LIG 1 7.046 0.119 2.534 0.00 0.00 +0.115 A ATOM 32 N LIG 1 7.307 -0.653 3.613 0.00 0.00 -0.263 NA ATOM 33 C LIG 1 7.187 -1.988 3.447 0.00 0.00 +0.111 A ATOM 34 C LIG 1 6.812 -2.585 2.256 0.00 0.00 +0.020 A ATOM 35 C LIG 1 6.546 -1.765 1.164 0.00 0.00 +0.008 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 3 25 TORSDOF 7