REMARK Name = BDB001860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.996 -0.104 0.861 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -0.089 0.613 1.216 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.404 0.231 0.692 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -2.542 0.821 0.897 0.00 0.00 -0.251 NA ATOM 5 C LIG 1 -3.523 -0.009 0.108 0.00 0.00 +0.172 C ATOM 6 C LIG 1 -4.138 0.857 -0.998 0.00 0.00 +0.056 C ATOM 7 C LIG 1 -5.578 0.450 -1.296 0.00 0.00 +0.004 C ATOM 8 C LIG 1 -6.471 0.545 -0.057 0.00 0.00 +0.000 C ATOM 9 C LIG 1 -5.742 0.263 1.259 0.00 0.00 +0.004 C ATOM 10 N LIG 1 -2.718 -1.089 -0.517 0.00 0.00 -0.135 N ATOM 11 O LIG 1 -3.172 -2.005 -1.274 0.00 0.00 -0.166 OA ATOM 12 C LIG 1 -4.537 -0.652 1.060 0.00 0.00 +0.056 C ATOM 13 C LIG 1 -1.475 -0.958 -0.178 0.00 0.00 +0.107 A ATOM 14 C LIG 1 -0.299 -1.745 -0.503 0.00 0.00 +0.033 A ATOM 15 C LIG 1 0.852 -1.305 0.026 0.00 0.00 +0.025 A ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 2.258 0.204 1.347 0.00 0.00 -0.314 N ATOM 17 H LIG 1 2.248 0.887 2.102 0.00 0.00 +0.152 HD BRANCH 16 21 ATOM 18 C LIG 1 5.934 0.529 -0.747 0.00 0.00 +0.120 A ATOM 19 C LIG 1 5.895 0.506 0.644 0.00 0.00 +0.047 A ATOM 20 C LIG 1 4.667 0.406 1.310 0.00 0.00 +0.027 A ATOM 21 C LIG 1 3.457 0.330 0.604 0.00 0.00 +0.032 A ATOM 22 C LIG 1 3.511 0.347 -0.792 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.737 0.450 -1.459 0.00 0.00 +0.047 A BRANCH 18 25 ATOM 24 C LIG 1 8.303 0.697 -0.841 0.00 0.00 +0.277 C ATOM 25 O LIG 1 7.057 0.624 -1.522 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 1 16 TORSDOF 3