REMARK Name = BDB014015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.512 0.235 0.311 0.00 0.00 +0.160 C ATOM 2 C LIG 1 2.543 -0.896 -0.024 0.00 0.00 +0.240 C ATOM 3 O LIG 1 2.916 -1.785 -0.805 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.266 -0.889 0.539 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.846 -0.053 1.642 0.00 0.00 +0.040 A ATOM 6 C LIG 1 1.230 1.291 1.840 0.00 0.00 -0.026 A ATOM 7 C LIG 1 0.731 1.992 2.971 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.125 1.403 3.894 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -0.509 0.091 3.706 0.00 0.00 +0.002 A ATOM 10 C LIG 1 2.080 2.162 0.942 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -0.031 -0.618 2.601 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.864 1.517 -0.178 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 5.937 0.607 -0.060 0.00 0.00 +0.230 C ATOM 14 N LIG 1 4.765 -0.027 -0.397 0.00 0.00 -0.303 N ATOM 15 H LIG 1 4.767 -0.840 -1.006 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 5.967 1.527 0.758 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 7.192 0.153 -0.852 0.00 0.00 +0.137 C ATOM 18 C LIG 1 7.405 -1.356 -0.769 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 9.325 1.228 -1.315 0.00 0.00 +0.101 C ATOM 20 N LIG 1 8.381 0.828 -0.283 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 8.053 1.662 0.217 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 0.384 -1.997 0.101 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -1.039 -1.585 -0.268 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -2.180 -2.376 0.056 0.00 0.00 -0.013 A ATOM 25 C LIG 1 -3.479 -1.904 -0.298 0.00 0.00 -0.013 A ATOM 26 C LIG 1 -4.601 -2.686 0.065 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -4.477 -3.903 0.732 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -3.219 -4.377 1.054 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.614 -0.675 -1.003 0.00 0.00 -0.026 A ATOM 30 C LIG 1 -2.469 0.053 -1.355 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -2.092 -3.626 0.720 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -1.205 -0.399 -1.002 0.00 0.00 +0.006 A BRANCH 29 33 ATOM 33 C LIG 1 -4.962 -0.098 -1.415 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -5.780 0.372 -0.285 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 -7.129 0.790 -0.720 0.00 0.00 +0.113 C ATOM 36 C LIG 1 -7.287 2.313 -0.843 0.00 0.00 +0.175 C ATOM 37 O LIG 1 -7.034 3.009 0.384 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 -6.122 2.314 1.247 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -5.112 1.456 0.470 0.00 0.00 +0.113 C ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7