REMARK Name = BDB014364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.625 -0.353 0.475 0.00 0.00 +0.064 A ATOM 2 C LIG 1 -3.330 -0.210 -0.054 0.00 0.00 +0.103 A ATOM 3 C LIG 1 -3.199 0.145 -1.396 0.00 0.00 +0.068 A ATOM 4 N LIG 1 -1.843 0.196 -1.599 0.00 0.00 -0.326 N ATOM 5 H LIG 1 -1.379 0.382 -2.473 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -1.208 -0.113 -0.425 0.00 0.00 +0.197 A ATOM 7 C LIG 1 -4.283 0.363 -2.250 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -5.561 0.215 -1.703 0.00 0.00 +0.003 A ATOM 9 N LIG 1 -2.086 -0.396 0.508 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 -5.736 -0.137 -0.363 0.00 0.00 +0.015 A ENDROOT BRANCH 6 11 ATOM 11 N LIG 1 0.150 -0.167 -0.350 0.00 0.00 -0.298 N ATOM 12 C LIG 1 0.667 -0.607 0.974 0.00 0.00 +0.127 C ATOM 13 C LIG 1 2.173 -0.938 0.909 0.00 0.00 +0.127 C ATOM 14 N LIG 1 2.945 0.176 0.328 0.00 0.00 -0.297 N ATOM 15 C LIG 1 2.426 0.668 -0.957 0.00 0.00 +0.127 C ATOM 16 C LIG 1 0.918 0.988 -0.870 0.00 0.00 +0.127 C BRANCH 14 17 ATOM 17 C LIG 1 4.325 -0.037 0.332 0.00 0.00 +0.218 A ATOM 18 N LIG 1 5.090 0.636 -0.548 0.00 0.00 -0.223 NA ATOM 19 C LIG 1 6.422 0.442 -0.503 0.00 0.00 +0.116 A ATOM 20 C LIG 1 7.036 -0.401 0.385 0.00 0.00 +0.039 A ATOM 21 C LIG 1 6.188 -1.047 1.245 0.00 0.00 +0.116 A ATOM 22 N LIG 1 4.852 -0.883 1.235 0.00 0.00 -0.223 NA ENDBRANCH 14 17 ENDBRANCH 6 11 BRANCH 1 26 ATOM 23 N LIG 1 -5.749 -1.690 2.136 0.00 0.00 -0.325 N ATOM 24 H LIG 1 -5.770 -2.034 3.088 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -6.036 -2.324 1.403 0.00 0.00 +0.145 HD ATOM 26 C LIG 1 -4.822 -0.709 1.892 0.00 0.00 +0.244 C ATOM 27 O LIG 1 -4.223 -0.168 2.809 0.00 0.00 -0.270 OA ENDBRANCH 1 26 TORSDOF 3