REMARK Name = BDB035385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.315 -1.098 -1.433 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.335 -0.088 -0.715 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.101 0.845 -0.067 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.778 -0.307 -0.883 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.830 0.418 -0.355 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.135 0.011 -0.669 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.333 -1.124 -1.492 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.249 -1.851 -2.023 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.967 -1.415 -1.699 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.640 -1.971 -2.102 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.034 -0.700 -0.854 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.629 -0.540 -0.778 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.720 -1.301 -1.530 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.243 -2.284 -2.378 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.618 -2.489 -2.472 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.495 -1.709 -1.720 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.059 0.202 0.034 0.00 0.00 +0.061 C ATOM 18 C LIG 1 -6.312 0.737 -0.731 0.00 0.00 +0.054 C ATOM 19 C LIG 1 -5.830 2.190 -0.545 0.00 0.00 +0.066 C ATOM 20 C LIG 1 -5.422 2.883 -1.841 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -4.629 1.682 0.280 0.00 0.00 +0.054 C BRANCH 17 24 ATOM 22 C LIG 1 -6.894 1.042 2.687 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -6.210 -0.199 2.446 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -5.453 -0.594 1.370 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -5.077 -1.844 1.574 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 -5.568 -2.263 2.784 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -6.241 -1.264 3.298 0.00 0.00 +0.224 A ENDBRANCH 17 24 BRANCH 19 28 ATOM 28 O LIG 1 -6.743 3.038 0.187 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -7.463 3.240 -0.436 0.00 0.00 +0.210 HD ENDBRANCH 19 28 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.458 -3.055 -2.901 0.00 0.00 +0.418 C ATOM 31 F LIG 1 4.766 -3.323 -3.163 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.851 -2.921 -4.112 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.943 -4.189 -2.352 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.320 0.759 -0.096 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.544 0.366 1.295 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.526 -0.651 1.354 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.753 0.984 1.864 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.037 0.272 3.221 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.513 0.166 2.781 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.023 0.270 1.321 0.00 0.00 +0.022 C ATOM 41 C LIG 1 6.729 2.501 1.927 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8