REMARK Name = BDB037892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.968 -0.331 0.178 0.00 0.00 +0.074 A ATOM 2 N LIG 1 2.401 -1.467 -0.280 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 1.057 -1.582 -0.154 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.211 -0.624 0.415 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.826 0.540 0.903 0.00 0.00 -0.003 A ATOM 6 C LIG 1 2.220 0.679 0.779 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 7.239 -0.088 -0.266 0.00 0.00 +0.158 A ATOM 8 C LIG 1 6.638 -0.033 0.996 0.00 0.00 +0.166 A ATOM 9 F LIG 1 7.395 0.096 2.096 0.00 0.00 -0.202 F ATOM 10 C LIG 1 5.254 -0.108 1.151 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.421 -0.242 0.032 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.032 -0.295 -1.229 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.285 -0.391 -2.340 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.420 -0.219 -1.385 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 9.245 -0.086 -1.548 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.604 0.000 -0.282 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.178 -0.799 0.537 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -1.868 -1.101 -0.746 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.390 -1.357 -0.506 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -3.542 -2.583 0.430 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -2.316 -2.865 1.306 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.561 -1.608 1.711 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.990 -0.165 0.160 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -3.321 0.160 0.872 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.952 0.606 -0.520 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.112 -1.579 -1.868 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.614 -1.853 -1.732 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.137 -1.928 -2.992 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -5.839 -3.066 -1.169 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -3.894 -0.429 -2.716 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.472 -0.543 -3.495 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.030 1.650 1.550 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 N LIG 1 -0.816 2.376 0.612 0.00 0.00 -0.326 N ATOM 34 C LIG 1 -2.123 2.719 0.860 0.00 0.00 +0.159 A ATOM 35 C LIG 1 -2.592 3.413 -0.255 0.00 0.00 +0.108 A ATOM 36 N LIG 1 -3.869 3.872 -0.334 0.00 0.00 -0.250 NA ATOM 37 C LIG 1 -4.598 3.589 0.770 0.00 0.00 +0.131 A ATOM 38 C LIG 1 -4.106 2.902 1.872 0.00 0.00 +0.133 A ATOM 39 C LIG 1 -1.525 3.515 -1.175 0.00 0.00 +0.049 A ATOM 40 N LIG 1 -2.840 2.430 1.971 0.00 0.00 -0.234 NA ATOM 41 C LIG 1 -0.432 2.887 -0.610 0.00 0.00 +0.090 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9