REMARK Name = BDB014933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.155 7.938 -1.849 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -0.440 6.573 -1.475 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.248 5.889 -2.192 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -1.587 6.300 -0.768 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -1.774 4.953 -0.477 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -0.610 4.056 -0.301 0.00 0.00 +0.149 C ATOM 7 C LIG 1 -1.049 2.641 -0.174 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -0.309 1.431 -0.142 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.132 0.386 -0.004 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -2.372 0.904 0.040 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.367 2.261 -0.037 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -3.517 3.195 -0.010 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -2.993 4.615 0.287 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -2.375 7.179 -0.434 0.00 0.00 -0.253 OA ENDROOT BRANCH 10 15 ATOM 15 C LIG 1 -3.521 0.011 0.180 0.00 0.00 +0.110 C ATOM 16 C LIG 1 -3.719 -0.378 1.653 0.00 0.00 +0.046 C ATOM 17 C LIG 1 -4.388 -1.738 1.787 0.00 0.00 +0.110 C ATOM 18 N LIG 1 -3.603 -2.786 1.142 0.00 0.00 -0.302 N ATOM 19 C LIG 1 -3.590 -4.054 1.709 0.00 0.00 +0.212 C ATOM 20 O LIG 1 -4.289 -4.355 2.677 0.00 0.00 -0.276 OA ATOM 21 C LIG 1 -2.680 -5.078 1.080 0.00 0.00 +0.109 C ATOM 22 C LIG 1 -2.837 -2.422 -0.052 0.00 0.00 +0.110 C ATOM 23 C LIG 1 -3.432 -1.208 -0.757 0.00 0.00 +0.046 C ENDBRANCH 10 15 BRANCH 8 24 ATOM 24 N LIG 1 1.042 1.399 -0.229 0.00 0.00 -0.296 N ATOM 25 H LIG 1 1.547 2.280 -0.252 0.00 0.00 +0.154 HD BRANCH 24 26 ATOM 26 C LIG 1 1.951 0.315 -0.257 0.00 0.00 +0.069 A ATOM 27 C LIG 1 3.325 0.592 -0.239 0.00 0.00 +0.145 A ATOM 28 F LIG 1 3.732 1.873 -0.207 0.00 0.00 -0.204 F ATOM 29 C LIG 1 4.285 -0.414 -0.256 0.00 0.00 +0.049 A ATOM 30 C LIG 1 3.892 -1.758 -0.292 0.00 0.00 -0.004 A ATOM 31 C LIG 1 2.521 -2.077 -0.306 0.00 0.00 +0.027 A ATOM 32 C LIG 1 1.573 -1.030 -0.294 0.00 0.00 +0.036 A BRANCH 30 33 ATOM 33 C LIG 1 4.920 -2.778 -0.311 0.00 0.00 +0.020 A ATOM 34 C LIG 1 5.861 -2.947 0.683 0.00 0.00 +0.116 A ATOM 35 N LIG 1 6.636 -4.002 0.294 0.00 0.00 -0.274 N ATOM 36 C LIG 1 7.758 -4.566 1.003 0.00 0.00 +0.172 C ATOM 37 N LIG 1 6.262 -4.534 -0.884 0.00 0.00 -0.179 NA ATOM 38 C LIG 1 5.224 -3.781 -1.257 0.00 0.00 +0.142 A ENDBRANCH 30 33 BRANCH 31 39 ATOM 39 C LIG 1 2.030 -3.505 -0.343 0.00 0.00 +0.372 C ATOM 40 F LIG 1 0.696 -3.628 -0.072 0.00 0.00 -0.204 F ATOM 41 F LIG 1 2.200 -4.076 -1.568 0.00 0.00 -0.204 F ENDBRANCH 31 39 ENDBRANCH 24 26 ENDBRANCH 8 24 TORSDOF 5