REMARK Name = BDB038486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.910 0.697 -0.332 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.252 1.432 -0.069 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.488 2.622 -0.167 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.262 0.480 0.409 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.569 0.723 0.791 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.343 -0.364 1.222 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.777 -1.662 1.236 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.444 -1.892 0.843 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.700 -0.790 0.430 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.716 -0.717 -0.042 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.486 0.829 -1.500 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -3.248 0.359 -1.011 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -2.139 1.208 -0.834 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.297 2.556 -1.168 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.509 3.041 -1.667 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.593 2.183 -1.837 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -6.891 0.118 -1.038 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -5.633 -0.092 -1.654 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -5.478 -1.232 -2.473 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.527 -2.130 -2.684 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.761 -1.905 -2.087 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.942 -0.786 -1.276 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 -5.596 0.797 1.754 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -6.587 1.550 1.036 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -7.181 1.260 -0.169 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -8.107 2.175 -0.395 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -8.087 3.086 0.634 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -7.166 2.699 1.482 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 0.839 -3.270 0.861 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.270 -3.332 1.650 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.434 -3.669 -0.376 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.681 -4.236 1.315 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.785 -0.151 1.625 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.636 -0.097 0.439 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.560 -0.989 -0.053 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.045 0.125 0.786 0.00 0.00 +0.082 C ATOM 37 C LIG 1 7.898 0.459 -0.454 0.00 0.00 +0.131 C ATOM 38 C LIG 1 9.332 0.123 -0.048 0.00 0.00 +0.033 C ATOM 39 C LIG 1 9.227 -0.794 1.175 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.747 -1.121 1.331 0.00 0.00 +0.021 C BRANCH 37 41 ATOM 41 O LIG 1 7.516 -0.368 -1.557 0.00 0.00 -0.390 OA ATOM 42 H LIG 1 6.583 -0.137 -1.725 0.00 0.00 +0.210 HD ENDBRANCH 37 41 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8