REMARK Name = BDB031838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.669 0.305 -2.549 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.076 1.186 -1.623 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.797 0.889 -1.138 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.069 -0.222 -1.539 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.165 -0.143 -0.816 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -1.179 0.927 -0.015 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.644 -1.093 -2.482 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.004 1.529 -0.237 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.197 2.382 0.271 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.930 -0.812 -2.972 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.890 -0.502 1.482 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.629 -0.518 0.104 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.308 0.357 -0.730 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.281 0.605 -2.212 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.050 0.587 -3.095 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.331 1.673 -2.423 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.844 1.990 -1.178 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.569 2.678 -1.048 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.646 2.150 -3.500 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.088 -0.513 -3.195 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.257 1.223 -0.169 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.544 1.265 1.179 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.843 0.387 2.012 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.318 -1.393 3.615 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.155 -1.405 2.203 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.128 -1.084 -0.954 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -1.990 -1.833 -1.621 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.477 -1.077 -0.519 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -4.200 -2.262 -0.637 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -5.488 -2.211 -0.156 0.00 0.00 +0.163 A ATOM 31 N LIG 1 -6.042 -1.117 0.402 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 -5.278 -0.018 0.481 0.00 0.00 +0.220 A ATOM 33 N LIG 1 -4.021 0.026 0.028 0.00 0.00 -0.195 NA BRANCH 32 34 ATOM 34 N LIG 1 -5.817 1.125 1.025 0.00 0.00 -0.294 N ATOM 35 C LIG 1 -4.882 2.131 1.554 0.00 0.00 +0.183 C ATOM 36 C LIG 1 -5.635 2.759 2.731 0.00 0.00 +0.266 C ATOM 37 F LIG 1 -5.463 4.094 2.808 0.00 0.00 -0.204 F ATOM 38 F LIG 1 -5.222 2.228 3.909 0.00 0.00 -0.204 F ATOM 39 C LIG 1 -7.089 2.405 2.497 0.00 0.00 +0.096 C ATOM 40 C LIG 1 -6.979 1.011 1.891 0.00 0.00 +0.114 C ENDBRANCH 32 34 BRANCH 29 41 ATOM 41 O LIG 1 -3.582 -3.333 -1.222 0.00 0.00 -0.490 OA ATOM 42 C LIG 1 -4.316 -4.552 -1.252 0.00 0.00 +0.277 C ENDBRANCH 29 41 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6