REMARK Name = BDB038791 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.676 0.604 -0.544 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.733 0.131 -0.096 0.00 0.00 +0.234 C ATOM 3 N LIG 1 1.643 1.134 0.136 0.00 0.00 -0.302 N ATOM 4 H LIG 1 1.355 2.109 0.155 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.052 -1.057 -0.040 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 2.987 0.855 0.644 0.00 0.00 +0.163 C BRANCH 6 7 ATOM 7 C LIG 1 3.468 2.153 1.318 0.00 0.00 +0.231 C ATOM 8 O LIG 1 2.921 3.240 1.130 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 4.542 2.054 2.150 0.00 0.00 -0.328 N ATOM 10 H LIG 1 4.895 2.900 2.576 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 5.082 1.203 2.254 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 3.932 0.428 -0.492 0.00 0.00 +0.067 C BRANCH 12 13 ATOM 13 C LIG 1 5.202 -0.233 -0.009 0.00 0.00 -0.045 A ATOM 14 C LIG 1 5.153 -1.497 0.595 0.00 0.00 +0.004 A ATOM 15 C LIG 1 6.320 -2.101 1.063 0.00 0.00 +0.000 A ATOM 16 C LIG 1 7.545 -1.451 0.928 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.606 -0.199 0.320 0.00 0.00 +0.000 A ATOM 18 C LIG 1 6.440 0.408 -0.150 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 -1.457 -0.569 -0.969 0.00 0.00 -0.302 N ATOM 20 H LIG 1 -1.087 -1.032 -1.790 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 -2.091 -1.414 -0.077 0.00 0.00 +0.231 C ATOM 22 O LIG 1 -2.214 -1.177 1.122 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 -2.638 -2.713 -0.718 0.00 0.00 +0.142 C BRANCH 23 24 ATOM 24 N LIG 1 -3.117 -3.636 0.340 0.00 0.00 -0.320 NA ATOM 25 H LIG 1 -3.824 -3.125 0.879 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 -2.355 -3.738 1.016 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 -3.716 -2.431 -1.783 0.00 0.00 +0.063 C BRANCH 27 28 ATOM 28 C LIG 1 -4.980 -1.776 -1.277 0.00 0.00 -0.043 A ATOM 29 C LIG 1 -5.095 -0.386 -1.203 0.00 0.00 +0.023 A ATOM 30 C LIG 1 -6.276 0.161 -0.722 0.00 0.00 +0.111 A ATOM 31 N LIG 1 -7.336 -0.572 -0.322 0.00 0.00 -0.263 NA ATOM 32 C LIG 1 -7.205 -1.913 -0.398 0.00 0.00 +0.111 A ATOM 33 C LIG 1 -6.066 -2.552 -0.860 0.00 0.00 +0.023 A ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 19 BRANCH 1 34 ATOM 34 C LIG 1 -1.448 1.576 0.395 0.00 0.00 +0.015 C ATOM 35 C LIG 1 -0.966 1.567 1.853 0.00 0.00 +0.010 C BRANCH 34 37 ATOM 36 C LIG 1 -2.274 3.225 -1.387 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -1.438 3.032 -0.127 0.00 0.00 +0.002 C ENDBRANCH 34 37 ENDBRANCH 1 34 TORSDOF 12