REMARK Name = BDB064118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.103 1.052 1.517 0.00 0.00 +0.200 A ATOM 2 N LIG 1 2.963 0.395 1.879 0.00 0.00 -0.306 N ATOM 3 C LIG 1 2.588 -0.989 1.665 0.00 0.00 +0.144 C ATOM 4 C LIG 1 1.389 -1.353 2.539 0.00 0.00 +0.130 C ATOM 5 N LIG 1 0.365 -0.309 2.465 0.00 0.00 -0.288 N ATOM 6 C LIG 1 0.781 1.003 2.981 0.00 0.00 +0.184 C ATOM 7 C LIG 1 -0.720 -0.505 1.617 0.00 0.00 +0.250 C ATOM 8 O LIG 1 -0.812 -1.480 0.872 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.143 1.328 2.464 0.00 0.00 +0.151 A ATOM 10 N LIG 1 2.765 2.486 2.487 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 3.996 2.312 1.892 0.00 0.00 -0.126 NA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.818 0.480 1.576 0.00 0.00 +0.072 A ATOM 13 C LIG 1 -2.442 0.922 2.740 0.00 0.00 +0.135 A ATOM 14 F LIG 1 -2.035 0.499 3.945 0.00 0.00 -0.205 F ATOM 15 C LIG 1 -3.500 1.823 2.672 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -3.957 2.266 1.429 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -3.369 1.799 0.243 0.00 0.00 -0.041 A ATOM 18 C LIG 1 -2.287 0.909 0.328 0.00 0.00 +0.020 A BRANCH 17 19 ATOM 19 C LIG 1 -3.869 2.266 -1.107 0.00 0.00 +0.093 C BRANCH 19 20 ATOM 20 C LIG 1 -5.371 2.085 -1.288 0.00 0.00 +0.074 A ATOM 21 C LIG 1 -5.930 0.743 -1.597 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -7.314 0.648 -1.730 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -7.922 -0.581 -2.016 0.00 0.00 +0.014 A ATOM 24 C LIG 1 -7.138 -1.723 -2.170 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.753 -1.634 -2.039 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -8.138 1.857 -1.568 0.00 0.00 +0.272 A ATOM 27 O LIG 1 -9.358 1.820 -1.677 0.00 0.00 -0.266 OA ATOM 28 N LIG 1 -7.459 3.017 -1.291 0.00 0.00 -0.242 N ATOM 29 H LIG 1 -8.011 3.862 -1.179 0.00 0.00 +0.192 HD ATOM 30 C LIG 1 -5.147 -0.406 -1.755 0.00 0.00 +0.010 A ATOM 31 N LIG 1 -6.113 3.145 -1.148 0.00 0.00 -0.175 NA ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 7 12 BRANCH 1 34 ATOM 32 C LIG 1 6.503 -1.009 -0.172 0.00 0.00 +0.120 A ATOM 33 O LIG 1 5.317 -0.825 0.474 0.00 0.00 -0.455 OA ATOM 34 C LIG 1 5.227 0.495 0.834 0.00 0.00 +0.172 A ATOM 35 C LIG 1 6.382 1.140 0.423 0.00 0.00 +0.053 A ATOM 36 C LIG 1 7.199 0.180 -0.220 0.00 0.00 +0.047 A BRANCH 32 37 ATOM 37 C LIG 1 6.800 -2.389 -0.657 0.00 0.00 +0.158 C BRANCH 37 39 ATOM 38 C LIG 1 6.058 -4.270 -1.961 0.00 0.00 +0.105 C ATOM 39 N LIG 1 5.875 -2.839 -1.714 0.00 0.00 -0.301 NA ATOM 40 C LIG 1 6.071 -2.091 -2.958 0.00 0.00 +0.105 C ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 1 34 TORSDOF 6