REMARK Name = BDB038729 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.863 -0.145 -0.775 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.528 -0.190 -0.361 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.814 0.990 -0.226 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.386 2.193 -0.475 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.669 2.268 -0.904 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.419 1.105 -1.066 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.469 1.010 0.181 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.371 -0.075 0.395 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.184 -1.270 0.265 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.664 0.474 0.820 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.568 1.858 0.819 0.00 0.00 +0.018 A ATOM 12 C LIG 1 2.656 2.617 1.177 0.00 0.00 +0.129 A ATOM 13 C LIG 1 3.844 1.981 1.538 0.00 0.00 +0.043 A ATOM 14 C LIG 1 3.941 0.569 1.539 0.00 0.00 -0.030 A ATOM 15 F LIG 1 2.581 3.953 1.179 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.823 -0.198 1.172 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.207 2.281 0.396 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 5.237 -0.105 1.937 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 N LIG 1 6.353 0.276 1.067 0.00 0.00 -0.290 NA ATOM 20 C LIG 1 6.264 -0.291 -0.311 0.00 0.00 +0.085 C ATOM 21 C LIG 1 7.344 0.415 -1.157 0.00 0.00 +0.179 C ATOM 22 O LIG 1 8.593 -0.153 -0.674 0.00 0.00 -0.371 OA ATOM 23 C LIG 1 8.174 -1.081 0.363 0.00 0.00 +0.081 C ATOM 24 C LIG 1 9.277 -2.059 0.684 0.00 0.00 +0.043 C ATOM 25 C LIG 1 6.893 -1.667 -0.195 0.00 0.00 +0.057 C ATOM 26 C LIG 1 7.654 -0.262 1.565 0.00 0.00 +0.119 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -4.971 -2.229 0.172 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.662 -1.376 -0.915 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -5.120 -1.739 -2.198 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -5.848 -2.913 -2.408 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.130 -3.759 -1.336 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -5.689 -3.419 -0.056 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -5.869 0.154 2.043 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -4.939 -0.902 2.338 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -4.554 -1.958 1.549 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -3.781 -2.746 2.276 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -3.618 -2.179 3.517 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -4.316 -1.071 3.538 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -6.870 -4.968 -1.549 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -7.484 -5.937 -1.728 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -4.213 3.657 -1.176 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -5.637 4.034 -0.841 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -5.209 3.928 -2.278 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 7