REMARK Name = BDB027337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.270 -0.502 -0.764 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.255 -0.776 0.169 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.396 -1.968 0.882 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.400 -2.868 0.732 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.357 -2.599 -0.183 0.00 0.00 +0.074 A ATOM 6 C LIG 1 -2.313 -1.433 -0.945 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.415 -3.620 -0.307 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -4.745 -3.304 -0.641 0.00 0.00 +0.135 A ATOM 9 F LIG 1 -5.110 -2.030 -0.851 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -5.736 -4.280 -0.750 0.00 0.00 +0.080 A ATOM 11 C LIG 1 -5.407 -5.607 -0.519 0.00 0.00 +0.161 A ATOM 12 F LIG 1 -6.354 -6.548 -0.624 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.107 -5.956 -0.180 0.00 0.00 +0.159 A ATOM 14 F LIG 1 -3.791 -7.239 0.044 0.00 0.00 -0.202 F ATOM 15 C LIG 1 -3.120 -4.979 -0.072 0.00 0.00 +0.054 A ENDBRANCH 5 7 BRANCH 2 16 ATOM 16 N LIG 1 0.799 0.106 0.365 0.00 0.00 -0.327 N ATOM 17 C LIG 1 1.849 0.155 -0.668 0.00 0.00 +0.129 C ATOM 18 C LIG 1 3.229 -0.406 -0.185 0.00 0.00 +0.064 C ATOM 19 C LIG 1 3.147 -1.052 1.215 0.00 0.00 +0.028 C ATOM 20 C LIG 1 2.333 -0.293 2.264 0.00 0.00 +0.021 C ATOM 21 C LIG 1 1.163 0.513 1.712 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 N LIG 1 3.624 -1.520 -1.113 0.00 0.00 -0.321 NA ATOM 23 H LIG 1 4.517 -1.916 -0.823 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 3.817 -1.088 -2.025 0.00 0.00 +0.119 HD ENDBRANCH 18 22 BRANCH 18 25 ATOM 25 C LIG 1 4.372 0.658 -0.297 0.00 0.00 +0.202 C BRANCH 25 26 ATOM 26 C LIG 1 4.247 1.910 0.577 0.00 0.00 +0.371 C ATOM 27 F LIG 1 3.162 2.644 0.248 0.00 0.00 -0.206 F ATOM 28 F LIG 1 5.325 2.707 0.323 0.00 0.00 -0.206 F ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 O LIG 1 4.522 1.026 -1.693 0.00 0.00 -0.384 OA ATOM 30 H LIG 1 5.046 1.851 -1.713 0.00 0.00 +0.210 HD ENDBRANCH 25 29 ENDBRANCH 18 25 ENDBRANCH 2 16 BRANCH 1 31 ATOM 31 C LIG 1 -1.316 0.794 -1.544 0.00 0.00 +0.161 C BRANCH 31 36 ATOM 32 C LIG 1 -0.702 5.180 0.418 0.00 0.00 +0.147 A ATOM 33 C LIG 1 -1.300 3.921 0.239 0.00 0.00 +0.147 A ATOM 34 N LIG 1 -2.359 3.297 0.868 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 -2.455 2.125 0.273 0.00 0.00 +0.202 A ATOM 36 N LIG 1 -1.494 1.957 -0.692 0.00 0.00 -0.310 N ATOM 37 C LIG 1 -0.754 3.106 -0.740 0.00 0.00 +0.166 A ATOM 38 N LIG 1 0.280 3.392 -1.548 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 0.785 4.610 -1.268 0.00 0.00 +0.225 A ATOM 40 N LIG 1 0.367 5.503 -0.344 0.00 0.00 -0.219 NA BRANCH 32 41 ATOM 41 N LIG 1 -1.143 6.104 1.358 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -1.697 5.689 2.098 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -0.417 6.759 1.615 0.00 0.00 +0.144 HD ENDBRANCH 32 41 ENDBRANCH 31 36 ENDBRANCH 1 31 TORSDOF 9