REMARK Name = BDB020654 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.695 -0.676 1.495 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -3.033 0.722 1.169 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -4.475 1.114 1.380 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -2.034 1.551 0.737 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -0.722 1.007 0.619 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.398 -0.304 0.973 0.00 0.00 +0.048 A ATOM 7 C LIG 1 0.957 -0.501 0.802 0.00 0.00 +0.037 A ATOM 8 C LIG 1 1.488 0.701 0.292 0.00 0.00 +0.020 A ATOM 9 C LIG 1 0.444 1.592 0.165 0.00 0.00 +0.101 A ATOM 10 C LIG 1 -1.439 -1.152 1.421 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.884 0.942 -0.046 0.00 0.00 +0.091 A ATOM 12 N LIG 1 3.249 2.090 -0.692 0.00 0.00 -0.235 NA ATOM 13 C LIG 1 4.551 1.989 -0.848 0.00 0.00 +0.204 A ATOM 14 N LIG 1 5.067 0.825 -0.317 0.00 0.00 -0.305 N ATOM 15 C LIG 1 3.981 0.148 0.199 0.00 0.00 +0.121 A BRANCH 14 16 ATOM 16 C LIG 1 6.431 0.409 -0.303 0.00 0.00 +0.047 A ATOM 17 C LIG 1 6.816 -0.747 0.392 0.00 0.00 +0.026 A ATOM 18 C LIG 1 8.155 -1.150 0.410 0.00 0.00 +0.007 A ATOM 19 C LIG 1 9.137 -0.421 -0.272 0.00 0.00 -0.033 A ATOM 20 C LIG 1 8.748 0.732 -0.966 0.00 0.00 +0.007 A ATOM 21 C LIG 1 7.412 1.147 -0.981 0.00 0.00 +0.026 A BRANCH 19 22 ATOM 22 C LIG 1 10.587 -0.859 -0.250 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 11.008 -1.823 -1.275 0.00 0.00 -0.304 NA ATOM 24 C LIG 1 10.376 -3.129 -1.139 0.00 0.00 +0.104 C ATOM 25 C LIG 1 10.887 -1.314 -2.635 0.00 0.00 +0.104 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 8 11 BRANCH 1 28 ATOM 26 N LIG 1 -4.554 -2.070 0.922 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -4.544 -1.546 0.056 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 -3.698 -1.691 1.927 0.00 0.00 +0.245 C ATOM 29 O LIG 1 -3.709 -2.154 3.059 0.00 0.00 -0.270 OA BRANCH 26 30 ATOM 30 C LIG 1 -5.681 -2.925 1.211 0.00 0.00 +0.145 C BRANCH 30 37 ATOM 31 C LIG 1 -8.939 -3.812 -3.521 0.00 0.00 +0.063 C ATOM 32 C LIG 1 -8.038 -3.654 -2.336 0.00 0.00 +0.016 A ATOM 33 N LIG 1 -8.370 -2.678 -1.426 0.00 0.00 -0.326 N ATOM 34 H LIG 1 -9.193 -2.106 -1.566 0.00 0.00 +0.169 HD ATOM 35 C LIG 1 -7.646 -2.390 -0.297 0.00 0.00 +0.254 A ATOM 36 O LIG 1 -7.988 -1.486 0.458 0.00 0.00 -0.268 OA ATOM 37 C LIG 1 -6.421 -3.224 -0.056 0.00 0.00 +0.037 A ATOM 38 C LIG 1 -6.106 -4.186 -0.953 0.00 0.00 -0.039 A ATOM 39 C LIG 1 -4.909 -5.087 -0.855 0.00 0.00 +0.044 C ATOM 40 C LIG 1 -6.941 -4.396 -2.127 0.00 0.00 +0.024 A ENDBRANCH 30 37 ENDBRANCH 26 30 ENDBRANCH 1 28 BRANCH 4 41 ATOM 41 C LIG 1 -2.213 3.043 0.401 0.00 0.00 +0.101 C ATOM 42 C LIG 1 -2.840 3.133 -1.004 0.00 0.00 +0.031 C BRANCH 41 43 ATOM 43 N LIG 1 -2.954 3.802 1.437 0.00 0.00 -0.290 NA ATOM 44 C LIG 1 -2.256 3.831 2.745 0.00 0.00 +0.113 C ATOM 45 C LIG 1 -1.577 5.176 3.055 0.00 0.00 +0.175 C ATOM 46 O LIG 1 -2.487 6.283 3.063 0.00 0.00 -0.377 OA ATOM 47 C LIG 1 -3.624 6.079 2.216 0.00 0.00 +0.175 C ATOM 48 C LIG 1 -3.309 5.175 1.016 0.00 0.00 +0.113 C ENDBRANCH 41 43 ENDBRANCH 4 41 TORSDOF 9