REMARK Name = BDB036284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.385 1.394 -1.075 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.436 1.733 -2.448 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.258 0.995 -3.413 0.00 0.00 -0.010 A ATOM 4 C LIG 1 0.056 1.524 -4.734 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.766 2.624 -4.751 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.032 -0.117 -2.994 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.115 -0.485 -1.644 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -1.305 3.035 -3.191 0.00 0.00 -0.096 S ATOM 9 C LIG 1 0.401 0.277 -0.713 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.108 2.147 0.024 0.00 0.00 +0.145 C BRANCH 10 22 ATOM 11 C LIG 1 -4.542 2.018 0.423 0.00 0.00 +0.191 C ATOM 12 O LIG 1 -5.214 1.640 1.635 0.00 0.00 -0.470 OA ATOM 13 C LIG 1 -4.755 0.619 2.401 0.00 0.00 +0.242 A ATOM 14 C LIG 1 -3.459 0.461 2.856 0.00 0.00 +0.168 A ATOM 15 C LIG 1 -3.139 -0.617 3.688 0.00 0.00 +0.055 A ATOM 16 C LIG 1 -4.143 -1.505 4.046 0.00 0.00 +0.061 A ATOM 17 C LIG 1 -5.418 -1.281 3.556 0.00 0.00 +0.134 A ATOM 18 CL LIG 1 -3.808 -2.844 5.063 0.00 0.00 -0.082 Cl ATOM 19 S LIG 1 -2.224 1.592 2.373 0.00 0.00 +0.066 S ATOM 20 O LIG 1 -2.704 2.939 2.579 0.00 0.00 -0.153 OA ATOM 21 O LIG 1 -0.966 1.167 2.953 0.00 0.00 -0.153 OA ATOM 22 N LIG 1 -2.115 1.291 0.709 0.00 0.00 -0.169 NA ATOM 23 N LIG 1 -5.740 -0.243 2.746 0.00 0.00 -0.218 NA ATOM 24 C LIG 1 -3.385 1.121 -0.064 0.00 0.00 +0.154 C BRANCH 11 26 ATOM 25 C LIG 1 -6.312 0.829 -1.021 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -5.634 2.145 -0.661 0.00 0.00 +0.042 C ENDBRANCH 11 26 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 7 27 ATOM 27 C LIG 1 1.928 -1.683 -1.145 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.044 -1.294 -0.154 0.00 0.00 -0.034 A ATOM 29 C LIG 1 4.076 -0.351 -0.433 0.00 0.00 -0.017 A ATOM 30 C LIG 1 4.165 0.427 -1.715 0.00 0.00 +0.046 C ATOM 31 C LIG 1 5.027 -0.111 0.589 0.00 0.00 +0.116 A ATOM 32 N LIG 1 6.108 0.737 0.604 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 6.713 0.624 1.777 0.00 0.00 -0.065 NA ATOM 34 N LIG 1 6.020 -0.272 2.500 0.00 0.00 -0.247 N ATOM 35 C LIG 1 6.452 -0.582 3.837 0.00 0.00 +0.175 C ATOM 36 C LIG 1 4.954 -0.776 1.806 0.00 0.00 +0.089 A ATOM 37 C LIG 1 3.963 -1.706 2.103 0.00 0.00 +0.030 A ATOM 38 C LIG 1 3.019 -1.946 1.103 0.00 0.00 +0.007 A ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 C LIG 1 2.445 -2.644 -2.235 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 2.863 -3.970 -1.661 0.00 0.00 +0.306 C ATOM 41 O LIG 1 2.336 -4.572 -0.741 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 3.902 -4.511 -2.328 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 4.068 -5.362 -1.871 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 27 39 ENDBRANCH 7 27 TORSDOF 8