REMARK Name = BDB029327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.356 0.665 -1.703 0.00 0.00 +0.056 A ATOM 2 N LIG 1 -3.491 2.008 -1.466 0.00 0.00 -0.255 NA ATOM 3 C LIG 1 -2.485 2.704 -0.873 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -1.327 2.042 -0.528 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.086 2.547 0.113 0.00 0.00 +0.151 C ATOM 6 N LIG 1 0.763 1.365 0.193 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.108 0.241 -0.323 0.00 0.00 +0.252 C ATOM 8 O LIG 1 0.464 -0.919 -0.424 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.213 0.686 -0.779 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -2.217 -0.048 -1.364 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.075 1.408 0.741 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.898 0.271 0.785 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.207 0.274 1.327 0.00 0.00 -0.039 A ATOM 14 C LIG 1 4.675 1.507 1.813 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.883 2.654 1.782 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.595 2.602 1.253 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.130 -1.081 1.347 0.00 0.00 +0.005 C ATOM 18 C LIG 1 6.004 -1.285 2.650 0.00 0.00 +0.030 C ATOM 19 C LIG 1 4.803 -2.049 3.263 0.00 0.00 +0.093 C ATOM 20 C LIG 1 4.389 -2.400 1.815 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 5.142 -3.159 4.124 0.00 0.00 +0.066 C ATOM 22 N LIG 1 5.422 -4.030 4.838 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 5.857 -1.146 -0.013 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 6.879 -2.220 -0.154 0.00 0.00 +0.134 A ATOM 25 N LIG 1 8.238 -2.037 -0.116 0.00 0.00 -0.320 N ATOM 26 C LIG 1 8.955 -0.805 0.068 0.00 0.00 +0.151 C ATOM 27 C LIG 1 8.794 -3.266 -0.287 0.00 0.00 +0.224 A ATOM 28 N LIG 1 7.844 -4.157 -0.433 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 6.640 -3.499 -0.361 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -2.667 4.181 -0.632 0.00 0.00 +0.038 C ATOM 31 C LIG 1 -2.781 4.714 0.779 0.00 0.00 +0.010 C ATOM 32 C LIG 1 -3.988 4.700 -0.109 0.00 0.00 +0.010 C ENDBRANCH 3 30 BRANCH 1 33 ATOM 33 C LIG 1 -4.542 -0.048 -2.332 0.00 0.00 +0.139 C BRANCH 33 41 ATOM 34 C LIG 1 -8.710 -2.040 -2.756 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -7.715 -1.236 -1.921 0.00 0.00 +0.069 C ATOM 36 C LIG 1 -8.065 -1.276 -0.436 0.00 0.00 +0.254 C ATOM 37 F LIG 1 -8.506 -2.515 -0.086 0.00 0.00 -0.205 F ATOM 38 F LIG 1 -9.108 -0.432 -0.214 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -6.911 -0.911 0.481 0.00 0.00 +0.091 C ATOM 40 C LIG 1 -5.855 -0.124 -0.281 0.00 0.00 +0.090 C ATOM 41 N LIG 1 -5.291 -0.913 -1.393 0.00 0.00 -0.296 NA ATOM 42 C LIG 1 -6.285 -1.738 -2.103 0.00 0.00 +0.093 C ENDBRANCH 33 41 ENDBRANCH 1 33 TORSDOF 8