REMARK Name = BDB022401 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.122 2.147 0.005 0.00 0.00 -0.035 A ATOM 2 C LIG 1 2.767 1.794 0.138 0.00 0.00 +0.013 A ATOM 3 C LIG 1 2.190 1.535 1.395 0.00 0.00 -0.016 A ATOM 4 C LIG 1 3.005 1.654 2.532 0.00 0.00 +0.008 A ATOM 5 C LIG 1 4.344 2.027 2.421 0.00 0.00 +0.001 A ATOM 6 C LIG 1 4.897 2.278 1.167 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.775 1.156 1.516 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -0.244 1.889 0.910 0.00 0.00 +0.121 A ATOM 9 N LIG 1 -1.567 1.592 0.984 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 -1.919 0.505 1.701 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -0.987 -0.295 2.343 0.00 0.00 +0.044 A ATOM 12 C LIG 1 0.367 0.037 2.248 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 N LIG 1 -3.295 0.278 1.715 0.00 0.00 -0.267 N ATOM 14 H LIG 1 -3.793 0.977 1.185 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 -3.985 -0.697 2.379 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -3.528 -1.531 3.152 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 -5.459 -0.663 2.167 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -6.073 -0.259 1.042 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -7.565 -0.279 0.862 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 -7.957 -1.152 -0.247 0.00 0.00 -0.294 NA ATOM 21 C LIG 1 -7.742 -0.549 -1.582 0.00 0.00 +0.113 C ATOM 22 C LIG 1 -9.028 -0.010 -2.231 0.00 0.00 +0.175 C ATOM 23 O LIG 1 -10.042 -1.009 -2.398 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 -9.960 -2.062 -1.428 0.00 0.00 +0.175 C ATOM 25 C LIG 1 -9.363 -1.587 -0.096 0.00 0.00 +0.113 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 4.657 3.951 -1.620 0.00 0.00 +0.022 C ATOM 27 C LIG 1 4.752 2.442 -1.352 0.00 0.00 +0.102 C BRANCH 27 28 ATOM 28 C LIG 1 4.125 1.662 -2.510 0.00 0.00 +0.225 C ATOM 29 N LIG 1 4.366 0.340 -2.710 0.00 0.00 -0.268 N ATOM 30 H LIG 1 3.865 -0.056 -3.495 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 3.350 2.217 -3.299 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 C LIG 1 5.144 -0.593 -2.076 0.00 0.00 +0.147 A ATOM 33 N LIG 1 5.105 -1.837 -2.568 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 5.928 -2.542 -1.776 0.00 0.00 -0.280 N ATOM 35 H LIG 1 6.046 -3.533 -1.955 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 6.511 -1.785 -0.812 0.00 0.00 +0.041 A ATOM 37 C LIG 1 6.021 -0.513 -0.974 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 C LIG 1 7.498 -2.272 0.270 0.00 0.00 +0.037 C ATOM 39 C LIG 1 8.746 -2.998 -0.155 0.00 0.00 +0.010 C ATOM 40 C LIG 1 8.841 -1.602 0.386 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 9