REMARK Name = BDB010754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.387 -0.283 -0.136 0.00 0.00 -0.306 N ATOM 2 C LIG 1 -0.576 -1.202 0.244 0.00 0.00 +0.116 A ATOM 3 C LIG 1 0.007 -1.840 1.336 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.618 -2.717 2.135 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 -1.872 -2.956 1.765 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -2.511 -2.469 0.679 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 1.316 -1.510 1.472 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.856 -1.602 -0.132 0.00 0.00 +0.102 A ATOM 9 C LIG 1 1.570 -0.680 0.493 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 2.779 -0.138 0.193 0.00 0.00 -0.293 N ATOM 11 C LIG 1 3.405 -0.375 -1.126 0.00 0.00 +0.105 C ATOM 12 C LIG 1 4.813 -0.975 -0.957 0.00 0.00 +0.139 C ATOM 13 C LIG 1 5.212 -1.304 -2.387 0.00 0.00 +0.033 C ATOM 14 C LIG 1 3.902 -1.734 -3.055 0.00 0.00 +0.004 C ATOM 15 O LIG 1 5.707 -0.074 -0.314 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 5.091 0.543 0.837 0.00 0.00 +0.179 C ATOM 17 C LIG 1 2.776 -1.397 -2.065 0.00 0.00 +0.025 C ATOM 18 C LIG 1 3.769 -0.113 1.302 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -2.666 -3.880 2.604 0.00 0.00 +0.220 A ATOM 20 N LIG 1 -3.911 -4.207 2.219 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -4.392 -3.905 1.390 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -4.397 -5.045 3.143 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -5.503 -5.559 3.130 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -3.441 -5.228 4.110 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -2.311 -4.440 3.714 0.00 0.00 -0.051 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 -2.537 -1.303 -1.378 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -3.781 -0.658 -1.406 0.00 0.00 +0.033 A ATOM 28 C LIG 1 -4.415 -0.426 -2.623 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 -5.925 0.387 -2.676 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 -3.798 -0.861 -3.785 0.00 0.00 +0.130 A ATOM 31 N LIG 1 -2.610 -1.511 -3.804 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 -2.022 -1.731 -2.604 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 1 34 ATOM 33 C LIG 1 -0.410 1.086 -2.123 0.00 0.00 +0.031 C ATOM 34 C LIG 1 0.244 1.046 -0.744 0.00 0.00 +0.091 C BRANCH 34 35 ATOM 35 C LIG 1 -0.314 2.159 0.204 0.00 0.00 +0.012 C ATOM 36 C LIG 1 0.460 2.281 1.524 0.00 0.00 +0.006 C ATOM 37 C LIG 1 0.077 3.549 2.293 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.425 3.883 2.255 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -1.702 5.113 1.386 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -2.261 2.681 1.810 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.830 2.094 0.463 0.00 0.00 +0.006 C ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 5