REMARK Name = BDB000315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.458 -0.454 -0.587 0.00 0.00 -0.265 N ATOM 2 C LIG 1 -0.213 -0.717 0.048 0.00 0.00 +0.079 A ATOM 3 C LIG 1 -0.067 -1.855 0.845 0.00 0.00 +0.144 A ATOM 4 C LIG 1 1.158 -2.162 1.443 0.00 0.00 +0.048 A ATOM 5 C LIG 1 2.255 -1.321 1.275 0.00 0.00 +0.012 A ATOM 6 C LIG 1 2.141 -0.165 0.496 0.00 0.00 -0.011 A ATOM 7 O LIG 1 -1.059 -2.760 1.081 0.00 0.00 -0.470 OA ATOM 8 C LIG 1 -2.388 -2.319 0.799 0.00 0.00 +0.208 C ATOM 9 C LIG 1 -2.911 -1.688 2.107 0.00 0.00 +0.071 C ATOM 10 C LIG 1 0.903 0.122 -0.113 0.00 0.00 +0.036 A ATOM 11 C LIG 1 -2.573 -1.242 -0.307 0.00 0.00 +0.268 C ATOM 12 O LIG 1 -3.666 -1.050 -0.849 0.00 0.00 -0.270 OA ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -3.139 -3.598 0.387 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -2.591 -4.422 -0.619 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -3.247 -5.581 -1.031 0.00 0.00 +0.127 A ATOM 16 F LIG 1 -2.696 -6.343 -1.984 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -4.456 -5.957 -0.470 0.00 0.00 +0.076 A ATOM 18 C LIG 1 -5.008 -5.151 0.513 0.00 0.00 +0.127 A ATOM 19 F LIG 1 -6.178 -5.496 1.065 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -4.370 -3.985 0.942 0.00 0.00 +0.046 A ENDBRANCH 8 13 BRANCH 6 21 ATOM 21 C LIG 1 3.281 0.744 0.321 0.00 0.00 +0.043 A ATOM 22 C LIG 1 4.182 0.642 -0.737 0.00 0.00 +0.056 A ATOM 23 N LIG 1 5.218 1.500 -0.892 0.00 0.00 -0.219 NA ATOM 24 C LIG 1 5.343 2.481 0.001 0.00 0.00 +0.214 A ATOM 25 N LIG 1 4.550 2.654 1.054 0.00 0.00 -0.199 NA ATOM 26 C LIG 1 3.531 1.797 1.206 0.00 0.00 +0.129 A BRANCH 24 27 ATOM 27 N LIG 1 6.399 3.353 -0.155 0.00 0.00 -0.327 N ATOM 28 H LIG 1 7.143 2.902 -0.668 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 6.630 3.762 0.740 0.00 0.00 +0.145 HD ENDBRANCH 24 27 BRANCH 26 30 ATOM 30 N LIG 1 2.711 2.017 2.329 0.00 0.00 -0.343 N ATOM 31 H LIG 1 1.753 2.169 2.028 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 2.716 1.191 2.920 0.00 0.00 +0.144 HD ENDBRANCH 26 30 BRANCH 22 33 ATOM 33 C LIG 1 4.101 -0.443 -1.784 0.00 0.00 +0.053 C ATOM 34 C LIG 1 4.964 -1.641 -1.422 0.00 0.00 +0.010 C ENDBRANCH 22 33 ENDBRANCH 6 21 BRANCH 1 35 ATOM 35 C LIG 1 -1.622 0.653 -1.530 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 C LIG 1 -1.985 1.958 -0.822 0.00 0.00 +0.047 C BRANCH 36 37 ATOM 37 C LIG 1 -2.163 3.095 -1.821 0.00 0.00 +0.161 C BRANCH 37 38 ATOM 38 O LIG 1 -2.517 4.304 -1.152 0.00 0.00 -0.380 OA BRANCH 38 40 ATOM 39 C LIG 1 -1.894 6.293 0.009 0.00 0.00 +0.034 C ATOM 40 C LIG 1 -1.390 5.046 -0.692 0.00 0.00 +0.156 C ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 10