REMARK Name = BDB016251 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.733 2.918 0.218 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.335 1.516 0.354 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -1.245 0.569 0.530 0.00 0.00 -0.338 N ATOM 4 H LIG 1 -0.400 0.852 0.035 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -1.486 -0.810 0.364 0.00 0.00 +0.064 A ATOM 6 C LIG 1 -2.733 -1.448 0.569 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -2.842 -2.842 0.370 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.744 -3.626 0.030 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -0.503 -3.029 -0.111 0.00 0.00 +0.019 A ATOM 10 N LIG 1 -3.947 -0.847 0.963 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -4.764 -1.446 0.984 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -4.269 0.397 1.394 0.00 0.00 +0.219 C ATOM 13 O LIG 1 -5.447 0.625 1.685 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -0.367 -1.646 0.062 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -3.228 1.453 1.573 0.00 0.00 +0.118 C ENDROOT BRANCH 14 16 ATOM 16 C LIG 1 0.956 -1.103 -0.099 0.00 0.00 -0.059 C ATOM 17 C LIG 1 2.058 -0.644 -0.232 0.00 0.00 -0.061 C BRANCH 17 18 ATOM 18 C LIG 1 3.367 -0.089 -0.385 0.00 0.00 +0.025 A ATOM 19 C LIG 1 4.018 -0.159 -1.619 0.00 0.00 +0.017 A ATOM 20 C LIG 1 5.294 0.387 -1.767 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.920 1.003 -0.683 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.271 1.074 0.550 0.00 0.00 +0.001 A ATOM 23 C LIG 1 3.995 0.528 0.700 0.00 0.00 +0.017 A ENDBRANCH 17 18 ENDBRANCH 14 16 TORSDOF 2