REMARK Name = BDB020702 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.918 -0.320 1.480 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.506 -0.624 1.663 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.802 -2.010 2.186 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.438 0.327 1.343 0.00 0.00 +0.044 A ATOM 5 N LIG 1 0.964 1.559 0.798 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.397 1.844 0.607 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -0.533 3.114 0.074 0.00 0.00 +0.007 A ATOM 8 C LIG 1 0.765 3.642 -0.070 0.00 0.00 +0.028 A ATOM 9 C LIG 1 1.649 2.675 0.349 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -1.343 0.856 0.989 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.802 3.745 -0.239 0.00 0.00 -0.016 A ATOM 12 C LIG 1 -2.193 4.902 0.443 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -3.414 5.512 0.148 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -4.246 4.971 -0.833 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -3.858 3.823 -1.522 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -2.638 3.212 -1.228 0.00 0.00 +0.008 A ENDBRANCH 7 11 BRANCH 1 19 ATOM 17 N LIG 1 -2.696 -1.769 0.801 0.00 0.00 -0.307 N ATOM 18 H LIG 1 -2.383 -1.554 -0.138 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -1.998 -1.271 1.873 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -2.205 -1.565 3.044 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 -3.786 -2.705 0.949 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 -8.422 -0.821 -2.014 0.00 0.00 +0.063 C ATOM 23 C LIG 1 -7.257 -1.247 -1.178 0.00 0.00 +0.016 A ATOM 24 N LIG 1 -6.304 -2.029 -1.782 0.00 0.00 -0.326 N ATOM 25 H LIG 1 -6.402 -2.292 -2.754 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 -5.173 -2.496 -1.160 0.00 0.00 +0.254 A ATOM 27 O LIG 1 -4.345 -3.169 -1.767 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 -5.001 -2.131 0.283 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.942 -1.358 0.870 0.00 0.00 -0.039 A ATOM 30 C LIG 1 -5.907 -0.886 2.298 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -7.097 -0.905 0.108 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 2.934 0.078 1.622 0.00 0.00 +0.101 C ATOM 33 C LIG 1 3.777 1.252 2.152 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 3.585 -0.722 0.569 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 3.790 -0.099 -0.736 0.00 0.00 +0.086 C ATOM 36 C LIG 1 5.256 0.183 -1.066 0.00 0.00 +0.034 C ATOM 37 C LIG 1 6.155 -1.077 -0.993 0.00 0.00 +0.058 C ATOM 38 C LIG 1 5.466 -2.160 -0.132 0.00 0.00 +0.034 C ATOM 39 C LIG 1 4.716 -1.523 1.037 0.00 0.00 +0.086 C BRANCH 37 40 ATOM 40 N LIG 1 6.571 -1.557 -2.340 0.00 0.00 -0.305 NA ATOM 41 C LIG 1 7.515 -0.623 -2.973 0.00 0.00 +0.104 C ATOM 42 C LIG 1 7.195 -2.886 -2.310 0.00 0.00 +0.104 C ENDBRANCH 37 40 ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 7