REMARK Name = BDB011816 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.154 1.050 -1.066 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.315 1.120 -0.711 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.858 2.232 -0.638 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -2.006 -0.067 -0.463 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.523 -1.397 -0.806 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.181 -1.882 -0.701 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.033 -3.263 -0.949 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.968 -4.131 -1.381 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.238 -3.642 -1.577 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.982 -1.114 -0.288 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.298 -1.532 -0.612 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.606 -2.324 -1.500 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.501 -2.304 -1.294 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.800 0.282 0.078 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.418 -0.978 0.193 0.00 0.00 +0.039 A ATOM 16 C LIG 1 4.503 -0.403 -0.482 0.00 0.00 +0.039 A ATOM 17 C LIG 1 5.526 0.142 0.300 0.00 0.00 +0.047 A ATOM 18 C LIG 1 5.511 0.108 1.695 0.00 0.00 -0.000 A ATOM 19 C LIG 1 6.697 0.754 2.140 0.00 0.00 +0.027 A ATOM 20 C LIG 1 7.396 1.164 1.027 0.00 0.00 +0.083 A ATOM 21 C LIG 1 4.424 -0.506 2.350 0.00 0.00 +0.011 A ATOM 22 N LIG 1 6.683 0.785 -0.079 0.00 0.00 -0.361 N ATOM 23 H LIG 1 6.956 0.951 -1.039 0.00 0.00 +0.165 HD ATOM 24 C LIG 1 3.382 -1.049 1.589 0.00 0.00 +0.014 A ENDBRANCH 11 15 BRANCH 1 26 ATOM 25 C LIG 1 1.903 2.695 -1.696 0.00 0.00 +0.230 C ATOM 26 N LIG 1 0.664 2.422 -1.169 0.00 0.00 -0.301 N ATOM 27 H LIG 1 -0.009 3.170 -1.017 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 2.666 1.810 -2.079 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 2.256 4.196 -1.760 0.00 0.00 +0.137 C ATOM 30 C LIG 1 1.649 4.793 -3.026 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 4.321 4.139 -0.478 0.00 0.00 +0.101 C ATOM 32 N LIG 1 3.723 4.385 -1.787 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 4.102 3.697 -2.445 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 BRANCH 4 34 ATOM 34 C LIG 1 -3.428 0.134 -0.079 0.00 0.00 +0.149 C BRANCH 34 35 ATOM 35 C LIG 1 -4.029 -0.817 0.961 0.00 0.00 -0.019 A ATOM 36 C LIG 1 -5.285 -1.478 0.707 0.00 0.00 -0.013 A ATOM 37 C LIG 1 -5.781 -2.397 1.669 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -6.985 -3.090 1.452 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -7.737 -2.885 0.300 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -7.294 -1.977 -0.647 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -5.077 -2.623 2.852 0.00 0.00 +0.009 A ATOM 42 C LIG 1 -3.904 -1.931 3.125 0.00 0.00 +0.004 A ATOM 43 C LIG 1 -6.094 -1.286 -0.445 0.00 0.00 +0.009 A ATOM 44 C LIG 1 -3.383 -1.008 2.210 0.00 0.00 -0.045 A ATOM 45 C LIG 1 -2.123 -0.292 2.614 0.00 0.00 +0.044 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 6