REMARK Name = BDB018738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -6.461 -0.935 1.438 0.00 0.00 -0.268 N ATOM 2 C LIG 1 -5.792 0.387 1.226 0.00 0.00 +0.132 C ATOM 3 C LIG 1 -4.631 0.139 0.250 0.00 0.00 +0.069 C ATOM 4 C LIG 1 -5.005 0.541 -1.178 0.00 0.00 +0.225 C ATOM 5 O LIG 1 -6.164 0.641 -1.574 0.00 0.00 -0.275 OA ATOM 6 N LIG 1 -3.968 0.675 -2.066 0.00 0.00 -0.285 N ATOM 7 H LIG 1 -4.232 0.800 -3.036 0.00 0.00 +0.155 HD ATOM 8 C LIG 1 -2.622 0.733 -1.698 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -2.281 0.809 -0.346 0.00 0.00 -0.025 A ATOM 10 C LIG 1 -0.930 0.891 0.018 0.00 0.00 +0.014 A ATOM 11 C LIG 1 0.086 0.886 -0.953 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -0.290 0.814 -2.305 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -1.636 0.745 -2.679 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -3.375 0.907 0.682 0.00 0.00 +0.054 C ATOM 15 C LIG 1 -4.431 -1.384 0.316 0.00 0.00 +0.037 C ATOM 16 C LIG 1 -5.838 -1.920 0.524 0.00 0.00 +0.117 C ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 1.504 0.965 -0.565 0.00 0.00 -0.018 A ATOM 18 C LIG 1 2.054 0.054 0.353 0.00 0.00 +0.012 A ATOM 19 C LIG 1 3.400 0.127 0.725 0.00 0.00 +0.047 A ATOM 20 C LIG 1 4.221 1.108 0.168 0.00 0.00 +0.128 A ATOM 21 C LIG 1 3.691 2.035 -0.725 0.00 0.00 +0.047 A ATOM 22 C LIG 1 2.345 1.958 -1.095 0.00 0.00 +0.012 A BRANCH 20 23 ATOM 23 O LIG 1 5.543 1.261 0.515 0.00 0.00 -0.456 OA BRANCH 23 24 ATOM 24 C LIG 1 6.322 0.127 0.556 0.00 0.00 +0.128 A ATOM 25 C LIG 1 7.153 -0.034 1.665 0.00 0.00 +0.046 A ATOM 26 C LIG 1 7.992 -1.145 1.750 0.00 0.00 +0.004 A ATOM 27 C LIG 1 8.009 -2.086 0.720 0.00 0.00 +0.000 A ATOM 28 C LIG 1 7.195 -1.913 -0.400 0.00 0.00 +0.004 A ATOM 29 C LIG 1 6.355 -0.802 -0.488 0.00 0.00 +0.046 A ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 31 ATOM 30 N LIG 1 -8.766 -1.176 2.367 0.00 0.00 -0.174 NA ATOM 31 C LIG 1 -7.700 -1.063 1.932 0.00 0.00 +0.169 C ENDBRANCH 1 31 TORSDOF 4