REMARK Name = BDB016281 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.467 2.641 -0.663 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -1.986 1.211 -0.535 0.00 0.00 +0.179 C ATOM 3 O LIG 1 -1.060 0.525 0.302 0.00 0.00 -0.486 OA ATOM 4 C LIG 1 -1.044 -0.839 0.193 0.00 0.00 +0.150 A ATOM 5 C LIG 1 -2.145 -1.659 -0.102 0.00 0.00 +0.076 A ATOM 6 C LIG 1 -1.944 -3.050 -0.190 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -0.694 -3.625 0.038 0.00 0.00 +0.003 A ATOM 8 C LIG 1 0.386 -2.815 0.362 0.00 0.00 +0.012 A ATOM 9 N LIG 1 -3.477 -1.252 -0.310 0.00 0.00 -0.282 N ATOM 10 H LIG 1 -4.149 -1.978 -0.533 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -4.090 -0.043 -0.234 0.00 0.00 +0.221 C ATOM 12 O LIG 1 -5.305 0.009 -0.447 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 0.222 -1.426 0.442 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -3.333 1.191 0.148 0.00 0.00 +0.140 C ENDROOT BRANCH 13 15 ATOM 15 C LIG 1 1.405 -0.611 0.785 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.102 -0.020 -0.207 0.00 0.00 +0.101 A ATOM 17 N LIG 1 3.219 0.750 0.106 0.00 0.00 -0.306 N ATOM 18 C LIG 1 3.680 0.953 1.402 0.00 0.00 +0.138 A ATOM 19 N LIG 1 4.755 1.713 1.417 0.00 0.00 -0.236 NA ATOM 20 C LIG 1 5.000 2.018 0.102 0.00 0.00 +0.131 A ATOM 21 C LIG 1 2.948 0.334 2.453 0.00 0.00 +0.047 A ATOM 22 C LIG 1 4.067 1.435 -0.725 0.00 0.00 +0.112 A ATOM 23 C LIG 1 1.864 -0.412 2.163 0.00 0.00 +0.013 A ENDBRANCH 13 15 TORSDOF 1