REMARK Name = BDB001481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.082 0.228 1.093 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -5.182 -0.271 0.102 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -5.337 -0.665 -1.360 0.00 0.00 -0.001 C ATOM 4 C LIG 1 -4.090 -1.520 -1.821 0.00 0.00 +0.050 C ATOM 5 C LIG 1 -2.770 -1.147 -1.204 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -2.691 -0.597 0.060 0.00 0.00 +0.097 A ATOM 7 N LIG 1 -1.544 -0.301 0.692 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -0.407 -0.577 0.033 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -0.381 -1.130 -1.190 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 -1.556 -1.411 -1.782 0.00 0.00 +0.120 A ATOM 11 C LIG 1 -5.421 0.600 -2.236 0.00 0.00 +0.016 C ATOM 12 C LIG 1 -6.574 -1.549 -1.612 0.00 0.00 +0.016 C ATOM 13 C LIG 1 -3.939 -0.270 0.722 0.00 0.00 +0.092 A ATOM 14 N LIG 1 -4.153 0.109 2.013 0.00 0.00 -0.264 N ATOM 15 C LIG 1 -3.184 0.220 3.079 0.00 0.00 +0.173 C ATOM 16 N LIG 1 -5.442 0.400 2.274 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 -9.406 1.385 2.354 0.00 0.00 +0.128 C ATOM 18 N LIG 1 -8.091 0.827 2.219 0.00 0.00 -0.313 N ATOM 19 H LIG 1 -7.430 0.858 2.992 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -7.512 0.585 0.990 0.00 0.00 +0.264 C ATOM 21 O LIG 1 -8.119 0.693 -0.069 0.00 0.00 -0.268 OA ENDBRANCH 1 20 BRANCH 8 22 ATOM 22 N LIG 1 0.758 -0.238 0.715 0.00 0.00 -0.284 N ATOM 23 H LIG 1 0.513 0.192 1.593 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 2.120 -0.319 0.413 0.00 0.00 +0.034 A ATOM 25 C LIG 1 3.045 0.197 1.330 0.00 0.00 +0.025 A ATOM 26 C LIG 1 4.427 0.154 1.089 0.00 0.00 +0.025 A ATOM 27 C LIG 1 4.946 -0.406 -0.081 0.00 0.00 +0.030 A ATOM 28 C LIG 1 4.015 -0.927 -0.992 0.00 0.00 +0.025 A ATOM 29 C LIG 1 2.633 -0.885 -0.752 0.00 0.00 +0.025 A BRANCH 27 30 ATOM 30 N LIG 1 6.312 -0.469 -0.378 0.00 0.00 -0.327 N ATOM 31 C LIG 1 6.669 0.243 -1.633 0.00 0.00 +0.120 C ATOM 32 C LIG 1 8.189 0.516 -1.717 0.00 0.00 +0.103 C ATOM 33 N LIG 1 8.702 1.348 -0.604 0.00 0.00 -0.302 NA ATOM 34 C LIG 1 10.151 1.213 -0.491 0.00 0.00 +0.105 C ATOM 35 C LIG 1 8.016 1.027 0.668 0.00 0.00 +0.103 C ATOM 36 C LIG 1 7.316 -0.349 0.698 0.00 0.00 +0.120 C ENDBRANCH 27 30 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 4