REMARK Name = BDB001966 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.087 -0.431 -0.713 0.00 0.00 +0.061 A ATOM 2 C LIG 1 -0.199 0.963 -0.667 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -1.438 1.406 -0.141 0.00 0.00 +0.063 A ATOM 4 C LIG 1 -1.458 2.756 -0.185 0.00 0.00 +0.176 A ATOM 5 C LIG 1 -2.521 3.621 0.256 0.00 0.00 +0.031 A ATOM 6 C LIG 1 -3.663 2.965 0.781 0.00 0.00 +0.033 A ATOM 7 C LIG 1 -3.700 1.455 0.840 0.00 0.00 +0.196 C ATOM 8 O LIG 1 -4.688 0.853 1.243 0.00 0.00 -0.287 OA ATOM 9 C LIG 1 -4.751 3.711 1.235 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -4.702 5.105 1.169 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.574 5.751 0.651 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.480 5.013 0.193 0.00 0.00 +0.012 A ATOM 13 O LIG 1 -0.291 3.185 -0.715 0.00 0.00 -0.353 OA ATOM 14 C LIG 1 -2.506 0.707 0.370 0.00 0.00 +0.056 A ATOM 15 C LIG 1 -2.280 -0.683 0.327 0.00 0.00 +0.041 A ATOM 16 N LIG 1 0.505 2.069 -1.015 0.00 0.00 -0.076 NA ATOM 17 C LIG 1 -1.022 -1.199 -0.183 0.00 0.00 +0.049 A ENDROOT BRANCH 1 22 ATOM 18 C LIG 1 5.323 -0.781 0.087 0.00 0.00 +0.403 C ATOM 19 N LIG 1 4.082 -0.920 -0.494 0.00 0.00 -0.264 N ATOM 20 C LIG 1 3.367 -2.194 -0.412 0.00 0.00 +0.130 C ATOM 21 C LIG 1 1.858 -1.993 -0.181 0.00 0.00 +0.124 C ATOM 22 N LIG 1 1.240 -1.085 -1.187 0.00 0.00 -0.325 N ATOM 23 C LIG 1 2.196 -0.308 -2.006 0.00 0.00 +0.124 C ATOM 24 C LIG 1 3.395 0.181 -1.179 0.00 0.00 +0.130 C ATOM 25 O LIG 1 5.916 -1.688 0.658 0.00 0.00 -0.226 OA BRANCH 18 26 ATOM 26 O LIG 1 5.811 0.482 -0.047 0.00 0.00 -0.451 OA BRANCH 26 28 ATOM 27 C LIG 1 8.196 0.362 -0.446 0.00 0.00 +0.048 C ATOM 28 C LIG 1 7.098 0.725 0.537 0.00 0.00 +0.230 C ENDBRANCH 26 28 ENDBRANCH 18 26 ENDBRANCH 1 22 BRANCH 15 29 ATOM 29 N LIG 1 -3.246 -1.560 0.880 0.00 0.00 -0.343 N ATOM 30 H LIG 1 -4.097 -1.021 1.104 0.00 0.00 +0.146 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.557 -2.772 0.114 0.00 0.00 +0.112 C BRANCH 31 32 ATOM 32 C LIG 1 -4.753 -3.479 0.741 0.00 0.00 +0.139 C BRANCH 32 33 ATOM 33 C LIG 1 -5.072 -4.733 -0.015 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -4.499 -5.172 -0.998 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -6.125 -5.388 0.513 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -6.234 -6.178 -0.058 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 15 29 TORSDOF 8