REMARK Name = BDB016497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.504 1.132 3.595 0.00 0.00 +0.135 C ATOM 2 N LIG 1 -1.983 1.631 2.320 0.00 0.00 -0.269 N ATOM 3 C LIG 1 -2.931 0.885 1.637 0.00 0.00 +0.403 C ATOM 4 O LIG 1 -3.470 -0.111 2.103 0.00 0.00 -0.226 OA ATOM 5 O LIG 1 -3.194 1.380 0.393 0.00 0.00 -0.448 OA ATOM 6 C LIG 1 -4.118 0.624 -0.417 0.00 0.00 +0.257 C ATOM 7 C LIG 1 -3.379 -0.113 -1.531 0.00 0.00 +0.184 C ATOM 8 N LIG 1 -2.563 -1.194 -1.017 0.00 0.00 -0.268 N ATOM 9 C LIG 1 -1.218 -1.159 -0.801 0.00 0.00 +0.118 A ATOM 10 C LIG 1 -0.923 -2.269 -0.039 0.00 0.00 +0.038 A ATOM 11 C LIG 1 -2.148 -2.971 0.026 0.00 0.00 +0.144 A ATOM 12 C LIG 1 0.368 -2.522 0.565 0.00 0.00 +0.075 A ATOM 13 N LIG 1 1.447 -2.037 -0.096 0.00 0.00 -0.242 NA ATOM 14 C LIG 1 2.661 -2.224 0.485 0.00 0.00 +0.126 A ATOM 15 C LIG 1 2.835 -2.888 1.696 0.00 0.00 +0.033 A ATOM 16 C LIG 1 1.713 -3.374 2.356 0.00 0.00 +0.004 A ATOM 17 C LIG 1 3.879 -1.821 -0.284 0.00 0.00 +0.267 C ATOM 18 O LIG 1 4.939 -2.422 -0.081 0.00 0.00 -0.268 OA ATOM 19 N LIG 1 3.830 -0.916 -1.320 0.00 0.00 -0.277 N ATOM 20 H LIG 1 4.592 -1.039 -1.975 0.00 0.00 +0.155 HD ATOM 21 C LIG 1 2.960 0.126 -1.581 0.00 0.00 +0.084 A ATOM 22 C LIG 1 2.095 0.948 -0.779 0.00 0.00 +0.168 A ATOM 23 N LIG 1 1.441 1.833 -1.569 0.00 0.00 -0.165 NA ATOM 24 N LIG 1 1.916 1.611 -2.800 0.00 0.00 -0.272 N ATOM 25 C LIG 1 1.425 2.404 -3.902 0.00 0.00 +0.172 C ATOM 26 C LIG 1 1.988 0.994 0.695 0.00 0.00 +0.266 C ATOM 27 O LIG 1 2.858 0.527 1.435 0.00 0.00 -0.268 OA ATOM 28 N LIG 1 0.921 1.616 1.313 0.00 0.00 -0.308 N ATOM 29 H LIG 1 1.045 1.667 2.314 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 -0.181 2.341 0.705 0.00 0.00 +0.123 C ATOM 31 C LIG 1 2.856 0.636 -2.856 0.00 0.00 +0.132 A ATOM 32 C LIG 1 0.459 -3.193 1.782 0.00 0.00 +0.028 A ATOM 33 N LIG 1 -3.140 -2.342 -0.615 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 -1.271 2.753 1.704 0.00 0.00 +0.129 C ENDROOT TORSDOF 0