REMARK Name = BDB014296 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.551 -0.525 0.115 0.00 0.00 -0.341 N ATOM 2 H LIG 1 1.665 -0.549 -0.904 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 3.909 0.184 0.039 0.00 0.00 +0.082 A ATOM 4 C LIG 1 2.659 0.124 0.690 0.00 0.00 +0.060 A ATOM 5 C LIG 1 2.654 0.618 1.998 0.00 0.00 +0.134 A ATOM 6 N LIG 1 3.712 1.177 2.639 0.00 0.00 -0.261 NA ATOM 7 C LIG 1 4.874 1.224 1.966 0.00 0.00 +0.111 A ATOM 8 C LIG 1 5.024 0.741 0.683 0.00 0.00 +0.036 A BRANCH 3 10 ATOM 9 O LIG 1 5.251 -0.520 -1.830 0.00 0.00 -0.245 OA ATOM 10 C LIG 1 4.155 -0.309 -1.341 0.00 0.00 +0.339 C BRANCH 10 11 ATOM 11 O LIG 1 3.038 -0.460 -2.081 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 3.389 -0.762 -2.947 0.00 0.00 +0.295 HD ENDBRANCH 10 11 ENDBRANCH 3 10 ENDBRANCH 1 4 BRANCH 1 13 ATOM 13 C LIG 1 0.201 -0.147 0.546 0.00 0.00 +0.109 C BRANCH 13 14 ATOM 14 C LIG 1 -0.880 -0.840 -0.325 0.00 0.00 +0.036 C ATOM 15 C LIG 1 -2.239 -0.742 0.355 0.00 0.00 -0.040 A ATOM 16 C LIG 1 -3.231 0.150 -0.093 0.00 0.00 -0.044 A ATOM 17 C LIG 1 -4.458 0.216 0.588 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -4.698 -0.584 1.704 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.721 -1.469 2.147 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.055 0.988 -1.335 0.00 0.00 +0.035 C ATOM 21 C LIG 1 -1.611 1.081 -1.816 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -2.502 -1.550 1.476 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -0.937 -0.286 -1.762 0.00 0.00 +0.010 C ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 5