REMARK Name = BDB010992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.340 1.023 -1.557 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -2.199 0.524 -0.919 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -1.065 1.331 -0.761 0.00 0.00 +0.066 A ATOM 4 C LIG 1 -1.048 2.645 -1.232 0.00 0.00 +0.089 A ATOM 5 N LIG 1 0.082 3.451 -1.079 0.00 0.00 -0.236 NA ATOM 6 C LIG 1 1.113 2.959 -0.475 0.00 0.00 +0.207 A ATOM 7 N LIG 1 1.223 1.688 0.050 0.00 0.00 -0.267 N ATOM 8 C LIG 1 -2.184 3.158 -1.875 0.00 0.00 +0.081 A ATOM 9 C LIG 1 0.141 0.807 -0.076 0.00 0.00 +0.266 A ATOM 10 O LIG 1 0.087 -0.345 0.350 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -3.322 2.340 -2.033 0.00 0.00 +0.019 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.441 1.290 0.720 0.00 0.00 +0.051 A ATOM 13 C LIG 1 2.851 -0.056 0.775 0.00 0.00 +0.030 A ATOM 14 C LIG 1 4.035 -0.489 1.421 0.00 0.00 -0.034 A ATOM 15 C LIG 1 4.826 0.512 2.007 0.00 0.00 +0.004 A ATOM 16 C LIG 1 4.454 1.853 1.972 0.00 0.00 +0.002 A ATOM 17 C LIG 1 3.271 2.236 1.339 0.00 0.00 +0.026 A BRANCH 14 18 ATOM 18 C LIG 1 4.458 -2.040 1.457 0.00 0.00 +0.049 C ATOM 19 C LIG 1 3.334 -3.059 1.792 0.00 0.00 +0.174 C ATOM 20 O LIG 1 4.197 -3.760 2.719 0.00 0.00 -0.378 OA ATOM 21 C LIG 1 5.086 -2.612 2.758 0.00 0.00 +0.174 C BRANCH 18 22 ATOM 22 C LIG 1 5.216 -2.441 0.176 0.00 0.00 +0.092 C BRANCH 22 23 ATOM 23 C LIG 1 6.467 -1.651 -0.017 0.00 0.00 +0.134 A ATOM 24 N LIG 1 6.700 -0.764 -1.036 0.00 0.00 -0.320 N ATOM 25 C LIG 1 5.827 -0.424 -2.125 0.00 0.00 +0.151 C ATOM 26 C LIG 1 7.938 -0.245 -0.812 0.00 0.00 +0.224 A ATOM 27 N LIG 1 8.444 -0.775 0.276 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 7.522 -1.663 0.773 0.00 0.00 -0.135 NA ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 -2.190 4.573 -2.393 0.00 0.00 +0.419 C ATOM 30 F LIG 1 -3.376 4.909 -2.987 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.005 5.509 -1.421 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.243 4.805 -3.345 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 1 33 ATOM 33 C LIG 1 -4.569 0.150 -1.721 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 -5.509 -3.050 1.149 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -6.497 -1.947 0.760 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -6.141 -1.321 -0.605 0.00 0.00 +0.088 C ATOM 37 N LIG 1 -5.148 -0.259 -0.436 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 -5.703 0.882 0.315 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -6.811 0.497 1.306 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -6.575 -0.893 1.881 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 7