REMARK Name = BDB007034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.471 -0.718 -1.338 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.047 0.506 -1.041 0.00 0.00 -0.268 N ATOM 3 C LIG 1 2.426 0.775 -1.009 0.00 0.00 +0.058 A ATOM 4 C LIG 1 2.668 2.102 -0.676 0.00 0.00 +0.070 A ATOM 5 N LIG 1 3.889 2.661 -0.565 0.00 0.00 -0.257 NA ATOM 6 C LIG 1 4.926 1.820 -0.793 0.00 0.00 +0.115 A ATOM 7 C LIG 1 4.793 0.471 -1.144 0.00 0.00 -0.023 A ATOM 8 C LIG 1 1.376 2.870 -0.503 0.00 0.00 +0.025 C ATOM 9 C LIG 1 1.315 3.577 0.852 0.00 0.00 +0.019 C ATOM 10 C LIG 1 1.194 3.872 -1.647 0.00 0.00 +0.019 C ATOM 11 C LIG 1 3.499 -0.059 -1.252 0.00 0.00 +0.030 A ATOM 12 C LIG 1 0.338 1.722 -0.593 0.00 0.00 +0.126 C ATOM 13 O LIG 1 1.109 -1.728 -1.650 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 -1.067 -0.791 -1.300 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 -2.871 -3.106 2.353 0.00 0.00 +0.025 C ATOM 16 C LIG 1 -2.129 -3.010 1.016 0.00 0.00 +0.065 C ATOM 17 N LIG 1 -3.090 -3.092 -0.099 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 -2.559 -3.295 -0.945 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 -3.818 -1.825 -0.305 0.00 0.00 +0.101 C ATOM 20 C LIG 1 -3.083 -0.526 0.131 0.00 0.00 +0.085 C ATOM 21 N LIG 1 -1.597 -0.647 0.073 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 -1.183 -1.768 0.958 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 -3.623 0.753 -0.588 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 N LIG 1 -4.998 1.208 -0.395 0.00 0.00 -0.298 NA ATOM 25 C LIG 1 -5.487 1.308 0.980 0.00 0.00 +0.121 C ATOM 26 C LIG 1 -7.010 1.383 0.842 0.00 0.00 +0.181 C ATOM 27 F LIG 1 -7.563 0.319 1.489 0.00 0.00 -0.244 F ATOM 28 C LIG 1 -7.286 1.239 -0.645 0.00 0.00 +0.053 C ATOM 29 C LIG 1 -6.039 0.543 -1.166 0.00 0.00 +0.087 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 6.008 -0.390 -1.371 0.00 0.00 +0.071 C BRANCH 30 31 ATOM 31 C LIG 1 6.550 -1.008 -0.102 0.00 0.00 -0.043 A ATOM 32 C LIG 1 7.600 -0.395 0.599 0.00 0.00 +0.007 A ATOM 33 C LIG 1 8.088 -0.963 1.777 0.00 0.00 +0.038 A ATOM 34 C LIG 1 7.524 -2.137 2.257 0.00 0.00 +0.123 A ATOM 35 F LIG 1 7.994 -2.680 3.388 0.00 0.00 -0.205 F ATOM 36 C LIG 1 6.480 -2.757 1.583 0.00 0.00 +0.038 A ATOM 37 C LIG 1 5.991 -2.192 0.405 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6