REMARK Name = BDB010551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.249 0.566 -1.007 0.00 0.00 -0.308 N ATOM 2 C LIG 1 0.108 1.776 -0.360 0.00 0.00 +0.115 A ATOM 3 C LIG 1 1.414 2.154 -0.080 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.758 3.266 0.588 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 0.705 3.989 0.978 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -0.598 3.724 0.740 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 2.317 1.274 -0.591 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -0.926 2.612 0.044 0.00 0.00 +0.102 A ATOM 9 C LIG 1 1.605 0.315 -1.129 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 0.988 5.219 1.745 0.00 0.00 +0.287 A ATOM 11 O LIG 1 2.300 5.484 1.981 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 2.279 6.644 2.689 0.00 0.00 +0.436 A ATOM 13 O LIG 1 3.251 7.242 3.112 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 0.963 6.988 2.826 0.00 0.00 -0.208 N ATOM 15 H LIG 1 0.618 7.806 3.308 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 0.144 6.085 2.228 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.340 2.433 -0.236 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -2.869 2.622 -1.520 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -4.231 2.442 -1.742 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -4.891 2.641 -3.313 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -5.036 2.087 -0.671 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -4.571 1.912 0.588 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -3.243 2.109 0.776 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 N LIG 1 2.072 -0.784 -1.791 0.00 0.00 -0.289 N ATOM 25 C LIG 1 3.149 -1.577 -1.095 0.00 0.00 +0.132 C ATOM 26 C LIG 1 4.550 -1.065 -1.512 0.00 0.00 +0.187 C ATOM 27 O LIG 1 4.816 -1.258 -2.918 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 3.623 -1.326 -3.713 0.00 0.00 +0.179 C ATOM 29 C LIG 1 2.494 -0.428 -3.187 0.00 0.00 +0.136 C BRANCH 25 30 ATOM 30 C LIG 1 2.939 -1.771 0.403 0.00 0.00 -0.025 A ATOM 31 C LIG 1 3.449 -0.875 1.355 0.00 0.00 +0.005 A ATOM 32 C LIG 1 3.243 -1.085 2.721 0.00 0.00 +0.000 A ATOM 33 C LIG 1 2.529 -2.198 3.157 0.00 0.00 +0.000 A ATOM 34 C LIG 1 2.019 -3.101 2.229 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.221 -2.889 0.864 0.00 0.00 +0.005 A ENDBRANCH 25 30 ENDBRANCH 9 24 BRANCH 1 36 ATOM 36 C LIG 1 -0.795 -0.321 -1.485 0.00 0.00 +0.128 C BRANCH 36 41 ATOM 37 C LIG 1 -3.863 -4.086 1.166 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -3.388 -2.653 0.919 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -3.452 -2.288 -0.576 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -2.109 -2.480 -1.273 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -0.997 -1.604 -0.656 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -1.260 -1.298 0.830 0.00 0.00 +0.005 C ATOM 43 C LIG 1 -1.984 -2.450 1.515 0.00 0.00 +0.003 C ENDBRANCH 36 41 ENDBRANCH 1 36 TORSDOF 6